SCHEMBL21760980

SCHEMBL21760980

COc1ccc(Br)cc1SCC(C)(C)C#N

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
GLA P06280 1/20 0.37
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
AR P10275 3/20 0.34
CASP1 P29466 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
IDO1 P14902 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL21761046 0.81 SMN1; SMN2 (0.39) SMN1; SMN2TSHRGLALMNAALDH1A1
SCHEMBL15822237 0.79 HTR2A (0.38) SMN1; SMN2TSHRGLAALDH1A1MAPT
SCHEMBL21761043 0.78 SMN1; SMN2 (0.38) SMN1; SMN2TSHRGLALMNAALDH1A1
SCHEMBL23585316 0.78 SMN1; SMN2 (0.40) SMN1; SMN2TSHRGLALMNAALDH1A1
SCHEMBL21760774 0.77 SMN1; SMN2 (0.40) SMN1; SMN2TSHRGLALMNAALDH1A1
SCHEMBL23585513 0.72 SMN1; SMN2 (0.36) SMN1; SMN2TSHRGLALMNAALDH1A1
SCHEMBL23585393 0.72 HTR2A (0.45) SMN1; SMN2TSHRGLALMNAALDH1A1
SCHEMBL4073579 0.71 SMN1; SMN2 (0.47) SMN1; SMN2TSHRALDH1A1MAPTAR
SCHEMBL21189843 0.71 KDM4E (0.40) SMN1; SMN2TSHRGLAALDH1A1MAPT
SCHEMBL21761033 0.70 SMN1; SMN2 (0.51) SMN1; SMN2TSHRGLAALDH1A1KDM4E

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-3842439-A1 BICYCLIC HETEROAROMATIC RING DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2021-06-30 EP disclosed
WO-2020040104-A1 BICYCLIC HETEROAROMATIC RING DERIVATIVE 杏林製薬株式会社 2020-02-27 WO disclosed