SCHEMBL7883221

SCHEMBL7883221

CCCOc1c(CO)cccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 2/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.42
TP53 P04637 1/20 0.42
HTR1A P08908 2/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
HTT P42858 1/20 0.40
CA12 O43570 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL16961950 0.88 RECQL (0.48) RECQLNPC1RAB9AMAPTKMT2A
SCHEMBL16345006 0.87 RECQL (0.46) RECQLNPC1RAB9AMAPTKMT2A
SCHEMBL7880793 0.85 RECQL (0.45) RECQLNPC1RAB9AMAPTKMT2A
SCHEMBL5201436 0.81 ALDH1A1 (0.47) RECQLNPC1RAB9AMAPTKMT2A
SCHEMBL31347487 0.81 ALDH1A1 (0.47) RECQLNPC1RAB9AMAPTKMT2A
SCHEMBL28092506 0.80 SMN1; SMN2 (0.51) RECQLNPC1RAB9AMAPTKMT2A
SCHEMBL27688900 0.79 NPC1 (0.47) RECQLNPC1RAB9AMAPTKMT2A
SCHEMBL27651187 0.78 TSHR (0.55) RECQLNPC1RAB9AMAPTKMT2A
SCHEMBL12894176 0.78 MAOB (0.44) RECQLNPC1RAB9AKMT2AMEN1
SCHEMBL7872378 0.78 ALDH1A1 (0.41) RECQLNPC1RAB9AMAPTKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6331553-B1 INHIBITORS OF NITRIC OXIDE SYNTHASE; TREATING CEREBROVASCULAR DISEASES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-12-18 US disclosed
EP-0949242-A1 AROMATIC AMINE DERIVATIVES HAVING NOS INHIBITORY EFFECT Chugai Seiyaku Kabushiki Kaisha (JP) 1999-10-13 EP disclosed