SCHEMBL21761046

SCHEMBL21761046

COc1ccc(Br)cc1SCC(C)(C)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
GLA P06280 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL21760774 0.87 SMN1; SMN2 (0.40) SMN1; SMN2TSHRGLAL3MBTL1LMNA
SCHEMBL21761043 0.85 SMN1; SMN2 (0.38) SMN1; SMN2TSHRGLAL3MBTL1LMNA
SCHEMBL15822237 0.83 HTR2A (0.38) SMN1; SMN2TSHRGLAL3MBTL1KDM4E
SCHEMBL23585316 0.82 SMN1; SMN2 (0.40) SMN1; SMN2TSHRGLAL3MBTL1LMNA
SCHEMBL21760980 0.81 SMN1; SMN2 (0.37) SMN1; SMN2TSHRGLAL3MBTL1LMNA
SCHEMBL23585513 0.78 SMN1; SMN2 (0.36) SMN1; SMN2TSHRGLAL3MBTL1LMNA
SCHEMBL21189843 0.78 KDM4E (0.40) SMN1; SMN2TSHRGLAL3MBTL1KDM4E
SCHEMBL21761024 0.75 MAOB (0.41) SMN1; SMN2GLAKDM4EGAAALDH1A1
SCHEMBL21761052 0.75 PTGS1 (0.33) MAPTPTGDR2
SCHEMBL23585393 0.75 HTR2A (0.45) SMN1; SMN2TSHRGLAL3MBTL1LMNA

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