SCHEMBL9697516

SCHEMBL9697516

CCCCCCCCc1ccc(I)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.48
MAPT P10636 3/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.36
STAT3 P40763 1/20 0.36
ATM Q13315 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 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
SCHEMBL9850711 1.00 KCNH2 (0.48) KCNH2MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL9850704 1.00 KCNH2 (0.48) KCNH2MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL9706417 1.00 KCNH2 (0.48) KCNH2MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL9706383 0.98 KCNH2 (0.46) KCNH2MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL20197290 0.84 HRH3 (0.35) KDM4EGABRPGABRDGABRA1IDO1
SCHEMBL30542615 0.79 RAB9A (0.55) KCNH2MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL18626629 0.79 KCNH2 (0.50) KCNH2MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL22368184 0.79 RAB9A (0.55) KCNH2MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL29058183 0.79 RAB9A (0.55) KCNH2MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL28879024 0.79 RAB9A (0.55) KCNH2MAPTRAB9ASMN1; SMN2KDM4E

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-0517498-A1 Liquid crystal compounds and compositions SANYO CHEMICAL INDUSTRIES LTD. (JP) 1992-12-09 EP disclosed
EP-0500210-A2 Liquid crystal compounds and compositions SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1992-08-26 EP disclosed