SCHEMBL7480366

SCHEMBL7480366

Nc1cccc2c1NCCNC2

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CD44 P16070 2/20 0.55
PNMT P11086 2/20 0.41
MAOB P27338 1/20 0.41
HTR2C P28335 4/20 0.36
RYR2 Q92736 1/20 0.35
HTR2B P41595 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
PARP1 P09874 1/20 0.33
PRCP P42785 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7423515 0.82 CD44 (0.47) CD44PNMTMAOBHTR2CKDM4E
Hydrochloric Acid SCHEMBL7423542 0.81 CD44 (0.46) CD44PNMTMAOBKDM4EMEN1
SCHEMBL1119383 0.78 CD44 (0.46) CD44PNMTMAOBHTR2CKDM4E
SCHEMBL30425286 0.78 CD44 (0.46) CD44PNMTMAOBHTR2CKDM4E
SCHEMBL27380732 0.77 CD44 (0.41) CD44PNMTMAOBHTR2CRYR2
SCHEMBL6615323 0.77 CD44 (0.41) CD44PNMTMAOBHTR2CRYR2
SCHEMBL1082367 0.74 SRC (0.49) CD44HTR2CKDM4EMEN1ALDH1A1
SCHEMBL29661329 0.74 SRC (0.49) CD44HTR2CKDM4EMEN1ALDH1A1
SCHEMBL9013032 0.71 PARP1 (0.36) CD44KDM4EMEN1ALDH1A1GAA
SCHEMBL29771844 0.71 CD44 (1.00) CD44PNMTMAOBHTR2CPARP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0538297-B9 ANTIVIRAL TETRAHYDROIMIDAZO 1,4]BENZODIAZEPIN-2-(THIO)ONES JANSSEN PHARMACEUTICA NV (BE) 2002-10-16 EP claimed
EP-0538297-B1 ANTIVIRAL TETRAHYDROIMIDAZO 1,4]BENZODIAZEPIN-2-(THIO)ONES JANSSEN PHARMACEUTICA NV (BE) 2001-09-19 EP claimed
EP-0417840-B1 Antiviral tetrahydroimidazo [1,4]-benzodiazepines JANSSEN PHARMACEUTICA NV (BE) 1994-12-07 EP claimed
EP-0538297-A1 ANTIVIRAL TETRAHYDROIMIDAZO 1,4]BENZODIAZEPIN-2-(THIO)ONES JANSSEN PHARMACEUTICA N.V. (BE) 1993-04-28 EP claimed
EP-0384522-B1 Antiviral tetrahydroimidazo[1,4]benzodiazepin-2-thiones JANSSEN PHARMACEUTICA N.V. (BE) 1993-01-13 EP claimed
EP-0336466-B1 ANTIVIRAL TETRAHYDROIMIDAZO (1,4) BENZODIAZEPIN-2-ONES JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-30 EP claimed
EP-0491751-A1 ANTIVIRAL TETRAHYDROIMIDAZO 1,4]BENZODIAZEPINES JANSSEN PHARMACEUTICA N.V. (BE) 1992-07-01 EP claimed
WO-1992000979-A1 ANTIVIRAL TETRAHYDROIMIDAZO[1,4]BENZODIAZEPIN-2-(THIO)ONES JANSSEN PHARMACEUTICA N.V. (BE) 1992-01-23 WO claimed
WO-1991004255-A1 ANTIVIRAL TETRAHYDROIMIDAZO[1,4]BENZODIAZEPINES JANSSEN PHARMACEUTICA N.V. (BE) 1991-04-04 WO claimed
EP-0417840-A1 Antiviral tetrahydroimidazo [1,4]-benzodiazepines JANSSEN PHARMACEUTICA N.V. (BE) 1991-03-20 EP claimed
EP-0384522-A1 Antiviral tetrahydroimidazo[1,4]benzodiazepin-2-thiones JANSSEN PHARMACEUTICA N.V. (BE) 1990-08-29 EP claimed
EP-0336466-A1 Antiviral tetrahydroimidazo (1,4) benzodiazepin-2-ones JANSSEN PHARMACEUTICA N.V. (BE) 1989-10-11 EP claimed
JP-2270876-A None JP disclosed
JP-1275582-A None JP disclosed
EP-0538297-B9 ANTIVIRAL TETRAHYDROIMIDAZO 1,4]BENZODIAZEPIN-2-(THIO)ONES JANSSEN PHARMACEUTICA NV (BE) 2002-10-16 EP disclosed
EP-0538297-B1 ANTIVIRAL TETRAHYDROIMIDAZO 1,4]BENZODIAZEPIN-2-(THIO)ONES JANSSEN PHARMACEUTICA NV (BE) 2001-09-19 EP disclosed
JP-H02270876-A ANTIVIRAL TETRAHYDROIMIDAZO(1,4)BENZODIAZEPIN-2-THIONE JANSSEN PHARMACEUT NV 1990-11-05 JP disclosed
EP-0384522-A1 Antiviral tetrahydroimidazo[1,4]benzodiazepin-2-thiones JANSSEN PHARMACEUTICA N.V. (BE) 1990-08-29 EP disclosed
JP-H01275582-A TETRAHYDROIMIDAZO(1,4)BENZODIAZEPIN-2-ONE COMPOUND JANSSEN PHARMACEUT NV 1989-11-06 JP disclosed
EP-0336466-A1 Antiviral tetrahydroimidazo (1,4) benzodiazepin-2-ones JANSSEN PHARMACEUTICA N.V. (BE) 1989-10-11 EP disclosed