SCHEMBL15519962

SCHEMBL15519962

[CH](Cc1ccccc1)Cc1ccn(C2CCCCO2)n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CD274 Q9NZQ7 1/20 0.36
ATR Q13535 1/20 0.32
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
CYP1A2 P05177 1/20 0.30
TSHR P16473 1/20 0.30
PDE8B O95263 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30

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
SCHEMBL14729661 0.85 RAB9A (0.40) NPC1RAB9ASMN1; SMN2CD274RXRA
SCHEMBL18483949 0.77 CD274 (0.43) NPC1RAB9ASMN1; SMN2CD274ATR
SCHEMBL28361826 0.77 CD274 (0.41) CD274RXRARXRBRXRGCYP4F2
SCHEMBL25232393 0.76 CD274 (0.40) NPC1RAB9ASMN1; SMN2CD274RXRA
SCHEMBL29586123 0.76 CD274 (0.40) NPC1RAB9ASMN1; SMN2CD274RXRA
SCHEMBL18485036 0.76 CD274 (0.40) NPC1RAB9ASMN1; SMN2CD274RXRA
SCHEMBL31338368 0.74 RXRA (0.45) NPC1RAB9ASMN1; SMN2CD274RXRA
SCHEMBL15519361 0.74 MEN1 (0.38) CD274TSHR
SCHEMBL21646747 0.74 CD274 (0.41) NPC1RAB9ASMN1; SMN2CD274RXRA
SCHEMBL22381074 0.74 CD274 (0.39) NPC1RAB9ASMN1; SMN2CD274KDM4C

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
EP-2708537-A1 HETEROAROMATIC RING DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2014-03-19 EP disclosed