SCHEMBL8774762

SCHEMBL8774762

O=[N+]([O-])c1cccc2c1CCC[C]2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 3/20 0.41
TSHR P16473 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GPR35 Q9HC97 2/20 0.40
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.38
ALDH1A1 P00352 3/20 0.37
S100A4 P26447 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PNMT P11086 1/20 0.35

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
SCHEMBL7469720 0.90 TDP1 (0.44) MAPTTDP1TSHRSMN1; SMN2GPR35
SCHEMBL7298111 0.72 TDP1 (0.40) MAPTTDP1TSHRSMN1; SMN2GPR35
SCHEMBL2243721 0.72 MEN1 (0.48) MAPTTDP1TSHRSMN1; SMN2GPR35
SCHEMBL6688479 0.72 MAPT (0.51) MAPTTDP1TSHRSMN1; SMN2GPR35
SCHEMBL31180267 0.72 MAPT (0.51) MAPTTDP1TSHRSMN1; SMN2GPR35
SCHEMBL31207333 0.72 MEN1 (0.48) MAPTTDP1TSHRSMN1; SMN2GPR35
SCHEMBL1346122 0.71 PARP1 (0.34) TSHRALDH1A1
SCHEMBL4689264 0.70 MAPT (0.50) MAPTTDP1TSHRSMN1; SMN2GPR35
SCHEMBL5839690 0.70 MAPT (0.43) MAPTTDP1TSHRSMN1; SMN2GPR35
SCHEMBL9452622 0.69 MAPT (0.47) MAPTTDP1TSHRSMN1; SMN2GPR35

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
EP-0804415-A1 NOVEL FARNESYL TRANSFERASE INHIBITORS, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 1997-11-05 EP disclosed
WO-1996022278-A1 NOVEL FARNESYL TRANSFERASE INHIBITORS, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1996-07-25 WO disclosed