SCHEMBL7447740

SCHEMBL7447740

CCOC(=O)c1cc2cc(CC#N)ccc2[nH]1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.65
ALDH1A1 P00352 3/20 0.65
HPGD P15428 3/20 0.65
RAB9A P51151 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
HSD17B10 Q99714 1/20 0.65
NPC1 O15118 2/20 0.61
LMNA P02545 2/20 0.61
HTT P42858 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
HRH3 Q9Y5N1 1/20 0.61
MMP13 P45452 8/20 0.60
MMP2 P08253 6/20 0.60
MEN1 O00255 1/20 0.56
GLA P06280 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
KMT2A Q03164 1/20 0.56
ATM Q13315 1/20 0.56
MMP14 P50281 4/20 0.56

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
SCHEMBL7451945 0.88 KDM4E (0.62) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL829242 0.86 KDM4E (0.76) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL28004667 0.85 KDM4E (0.60) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL13174359 0.84 KDM4E (0.72) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL7447135 0.83 KDM4E (0.70) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL7365199 0.83 KDM4E (0.70) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3560424 0.82 KDM4E (0.68) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL1420412 0.82 KDM4E (0.68) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL12042728 0.81 KDM4E (0.64) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL10395119 0.81 KDM4E (0.67) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2

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-0918768-A1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C Research Laboratories (KR) 1999-06-02 EP disclosed
WO-1997045424-A1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C RESEARCH LABORATORIES (KR) 1997-12-04 WO disclosed