SCHEMBL7350700

SCHEMBL7350700

COC(=O)c1cccc(NCC=[N+](N)C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.47
MAPT P10636 4/20 0.47
NPC1 O15118 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 2/20 0.46
EGFR P00533 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HIF1A Q16665 1/20 0.46
POLB P06746 1/20 0.45
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TCF4 P15884 2/20 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
SCHEMBL11073671 0.76 EGFR (0.54) RAB9AMAPTNPC1ALDH1A1MAPK1
SCHEMBL1671869 0.75 EGFR (0.53) RAB9AMAPTNPC1ALDH1A1MAPK1
SCHEMBL25174147 0.72 RAB9A (0.59) RAB9AMAPTNPC1ALDH1A1MAPK1
SCHEMBL30445248 0.72 RAB9A (0.59) RAB9AMAPTNPC1ALDH1A1MAPK1
SCHEMBL31227753 0.72 EGFR (0.56) RAB9AMAPTNPC1ALDH1A1MAPK1
SCHEMBL7350703 0.72 ALDH1A1 (0.51) RAB9AMAPTNPC1ALDH1A1MAPK1
SCHEMBL23518403 0.71 RAB9A (0.59) RAB9AMAPTNPC1ALDH1A1MAPK1
SCHEMBL8672958 0.70 RAB9A (0.60) RAB9AMAPTNPC1ALDH1A1MAPK1
SCHEMBL134016 0.70 EGFR (0.57) RAB9AMAPTNPC1ALDH1A1MAPK1
SCHEMBL27616133 0.70 CYP4F2 (0.58) RAB9AMAPTNPC1ALDH1A1MAPK1

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-0889875-A1 CYCLOPROPYL ALKANOIC ACID DERIVATIVES G.D. SEARLE & CO. (US) 1999-01-13 EP disclosed
WO-1997036858-A1 CYCLOPROPYL ALKANOIC ACID DERIVATIVES G.D. SEARLE & CO. (US) 1997-10-09 WO disclosed