SCHEMBL21760929

SCHEMBL21760929

CCOc1ccc(Br)cc1S(C)(=O)=O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
TSHR P16473 4/20 0.56
NPC1 O15118 1/20 0.56
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 5/20 0.53
PKM P14618 1/20 0.53
LMNA P02545 7/20 0.52
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.49
MAPT P10636 4/20 0.49
HTT P42858 2/20 0.49
GLA P06280 1/20 0.49
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL2701151 0.85 GAA (0.58) GAATSHRNPC1MEN1KMT2A
SCHEMBL22588191 0.85 ALDH1A1 (0.62) GAATSHRNPC1MEN1KMT2A
Hydrochloric Acid SCHEMBL28106647 0.83 GAA (0.57) GAATSHRNPC1MEN1KMT2A
SCHEMBL29145021 0.81 PTGDR2 (0.62) TSHRMEN1KMT2APKMLMNA
SCHEMBL30514814 0.80 SMN1; SMN2 (0.65) GAATSHRKMT2AALDH1A1PKM
SCHEMBL1790129 0.80 SMN1; SMN2 (0.65) GAATSHRKMT2AALDH1A1PKM
SCHEMBL12325555 0.79 KDM4E (0.53) GAATSHRNPC1MEN1KMT2A
SCHEMBL21760688 0.79 GAA (0.52) GAATSHRNPC1MEN1KMT2A
SCHEMBL29134872 0.76 PTPN1 (0.54) GAATSHRMEN1KMT2AALDH1A1
SCHEMBL30016133 0.76 PTPN1 (0.54) GAATSHRMEN1KMT2AALDH1A1

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