SCHEMBL7608600

SCHEMBL7608600

CC(C)CCc1nc2cccc(Cl)c2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.43
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 2/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PARP1 P09874 1/20 0.35
LMNA P02545 1/20 0.35
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL6756269 0.83 AAK1 (0.44) AAK1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL1917495 0.83 ADORA3 (0.41) POLBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1918625 0.79 DDAH1 (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7614964 0.78 PARP1 (0.47) POLBKDM4EPARP1LMNA
SCHEMBL7608595 0.76 PSMB8 (0.45) AAK1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL25369555 0.76 TDP1 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL31345698 0.76 TDP1 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5738320 0.76 LMNA (0.39) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7252462 0.76 LMNA (0.39) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1917805 0.75 NPC1 (0.40) POLBNPC1RAB9ASMN1; SMN2ALDH1A1

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-20020067486-A1 Solderability assessment AMERICAN COMPETITIVENESS INSTITUTE 2002-06-06 US disclosed
US-5348590-A Surface treating agent for copper or copper alloys HITACHI, LTD. (JP) 1994-09-20 US disclosed