SCHEMBL3242264

SCHEMBL3242264

CCCCCc1ccc(Cc2nc(-c3ccc(C(C)(C)C)cc3)c(C)[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
HSD11B1 P28845 1/20 0.39
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 2/20 0.37
STS P08842 2/20 0.36
S1PR4 O95977 3/20 0.36
S1PR1 P21453 3/20 0.36
S1PR5 Q9H228 3/20 0.36
GCGR P47871 1/20 0.36
KDM4E B2RXH2 2/20 0.36
S1PR3 Q99500 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL3245335 0.85 HSD11B1 (0.49) KCNH2HSD11B1MAPTMEN1ALDH1A1
SCHEMBL3241546 0.85 HSD11B1 (0.49) KCNH2HSD11B1MAPTMEN1ALDH1A1
SCHEMBL3239680 0.82 HSD11B1 (0.49) HSD11B1RAB9ASMN1; SMN2TSHRNPC1
SCHEMBL3244060 0.82 UCHL3 (0.45) HSD11B1RAB9ASMN1; SMN2TSHRTP53
SCHEMBL3245375 0.82 KMT2A (0.43) RAB9ASMN1; SMN2TSHRNPC1TP53
SCHEMBL3247567 0.81 HSD11B1 (0.50) HSD11B1RAB9ASMN1; SMN2TSHRNPC1
SCHEMBL8776979 0.75 KCNH2 (0.63) KCNH2TP53STSS1PR4S1PR1
SCHEMBL28525880 0.73 KCNH2 (0.61) KCNH2TP53STSS1PR4S1PR1
SCHEMBL28534367 0.73 KCNH2 (0.61) KCNH2TP53STSS1PR4S1PR1
SCHEMBL15458095 0.73 RAB9A (0.49) KCNH2HSD11B1RAB9ASMN1; SMN2TSHR

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-2010024472-A1 SURFACE TREATING AGENT FOR COPPER OR COPPER ALLOY AND USE THEREOF SHIKOKU CHEMICALS CORPORATION (JP) 2010-03-04 WO disclosed