SCHEMBL7784428

SCHEMBL7784428

CCNc1cccc(C(F)(F)F)c1.Cc1ccc(C(C)N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.51
LMNA P02545 5/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
FFAR1 O14842 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
CDK7 P50613 1/20 0.46
CCNH P51946 1/20 0.46
CCNA1 P78396 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
MAPT P10636 4/20 0.45
GAA P10253 4/20 0.45
TDP1 Q9NUW8 1/20 0.45
RAPGEF4 Q8WZA2 1/20 0.44
HTR2A P28223 2/20 0.43
HTR2B P41595 2/20 0.43
HTR2C P28335 1/20 0.43

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
SCHEMBL7783505 0.84 NPSR1 (0.40) NPSR1LMNAMEN1KMT2AFFAR1
SCHEMBL30490047 0.82 LMNA (0.53) NPSR1LMNAMEN1KMT2AMAPT
SCHEMBL42000 0.82 LMNA (0.53) NPSR1LMNAMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL8887020 0.80 LMNA (0.51) NPSR1LMNAMEN1KMT2AMAPT
Iodide SCHEMBL29203654 0.80 LMNA (0.51) NPSR1LMNAMEN1KMT2AMAPT
Bromide SCHEMBL29203649 0.80 LMNA (0.51) NPSR1LMNAMEN1KMT2AMAPT
SCHEMBL7784429 0.75 TAAR1 (0.66) LMNAMAPTHTR2AHTR2BHTR2C
SCHEMBL13084242 0.71 TRPA1 (0.49) MEN1KMT2AMAPTGAARAPGEF4
SCHEMBL6232265 0.71 LMNA (0.63) NPSR1LMNAMEN1KMT2AMAPT
SCHEMBL334964 0.70 HTR2A (0.58) NPSR1HTR2AHTR2BHTR2CSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140913-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 EP disclosed
EP-1137632-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
EP-1137633-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
WO-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed