SCHEMBL6015595

SCHEMBL6015595

COc1cc(C)ccc1-c1nnc(SCc2ccc(C)cn2)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.38
LMNA P02545 2/20 0.37
CYP1A2 P05177 3/20 0.36
CYP2E1 P05181 3/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2C8 P10632 3/20 0.36
CYP2D6 P10635 3/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2B6 P20813 3/20 0.36
CYP2C19 P33261 3/20 0.36
HTT P42858 2/20 0.36
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 5/20 0.34
ALDH1A1 P00352 3/20 0.33
SYK P43405 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32

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
SCHEMBL6015614 0.92 PDE2A (0.39) DAOLMNACYP1A2CYP2E1CYP3A4
SCHEMBL6015589 0.87 CYP1A2 (0.52) LMNACYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL5513538 0.79 NPC1 (0.58) LMNARAB9ANPC1MAPTALDH1A1
SCHEMBL6015608 0.77 MAPT (0.56) DAOLMNAHTTRAB9ANPC1
SCHEMBL6015582 0.76 CYP1A2 (0.57) LMNACYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL6015602 0.74 NPC1 (0.47) LMNACYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL645267 0.73 RAB9A (0.63) LMNACYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL6015599 0.72 CYP1A2 (0.56) LMNACYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL14777569 0.72 SYK (0.40) DAOCYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL6015605 0.69 CYP1A2 (0.57) LMNACYP1A2CYP2E1CYP3A4CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012054526-A2 CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES ELCELYX THERAPEUTICS, INC. (US) 2012-04-26 WO disclosed