SCHEMBL21760972

SCHEMBL21760972

COc1ccc(Br)cc1S(=O)(=O)Cc1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALPL P05186 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.52
GAA P10253 4/20 0.49
ALDH1A1 P00352 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PKM P14618 2/20 0.47
TSHR P16473 2/20 0.47
GLA P06280 1/20 0.47
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL21760973 0.84 SMN1; SMN2 (0.51) ALPLSMN1; SMN2GAAALDH1A1PKM
SCHEMBL21760975 0.84 KMT2A (0.55) ALPLSMN1; SMN2GAAALDH1A1MEN1
SCHEMBL21760970 0.76 SMN1; SMN2 (0.51) SMN1; SMN2GAAALDH1A1KMT2ATSHR
SCHEMBL1404336 0.75 ALPL (1.00) ALPLGAAALDH1A1MEN1KMT2A
SCHEMBL21761089 0.75 SMN1; SMN2 (0.67) ALPLSMN1; SMN2GAAALDH1A1KMT2A
SCHEMBL21760971 0.73 SMN1; SMN2 (0.48) ALPLSMN1; SMN2GAAALDH1A1MEN1
SCHEMBL12335431 0.72 NAMPT (0.70) ALPLMEN1KMT2AL3MBTL1
SCHEMBL21761090 0.70 SMN1; SMN2 (0.54) ALPLSMN1; SMN2GAAALDH1A1MEN1
SCHEMBL15211570 0.70 ALPL (0.80) ALPLGAAALDH1A1MEN1KMT2A
SCHEMBL21177215 0.70 SMN1; SMN2 (0.56) ALPLSMN1; SMN2GAAALDH1A1TSHR

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
WO-2020040104-A1 BICYCLIC HETEROAROMATIC RING DERIVATIVE 杏林製薬株式会社 2020-02-27 WO disclosed
US-9884826-B2 Sulfonamide compounds and uses as TNAP inhibitors SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2018-02-06 US disclosed