SCHEMBL9305039

SCHEMBL9305039

O=S(=O)(Nc1cccc(Cl)c1)c1ccc(CBr)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.67
ALOX15 P16050 1/20 0.61
ALDH1A1 P00352 4/20 0.56
TSHR P16473 2/20 0.56
PKM P14618 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
PGR P06401 3/20 0.55
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
LIMK2 P53671 3/20 0.54
GPR27 Q9NS67 1/20 0.53
NAMPT P43490 2/20 0.53
LIMK1 P53667 2/20 0.51

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
SCHEMBL9301414 0.86 IDO1 (0.48) CYP19A1ALOX15ALDH1A1PKMCYP1A2
SCHEMBL3791521 0.81 PGR (0.81) CYP19A1ALOX15ALDH1A1TSHRPKM
SCHEMBL28692275 0.81 KMT2A (0.67) ALDH1A1PKMMEN1KMT2A
SCHEMBL14937571 0.80 PGR (0.72) CYP19A1ALOX15ALDH1A1TSHRPKM
SCHEMBL343776 0.80 HTR6 (0.73) CYP19A1ALOX15ALDH1A1TSHRPKM
SCHEMBL2887823 0.79 ATIC (0.53) CYP19A1PGRGPR27
SCHEMBL29561272 0.79 PGR (0.67) CYP19A1ALOX15ALDH1A1TSHRPKM
SCHEMBL14434547 0.77 MAPT (0.65) CYP19A1ALOX15ALDH1A1TSHRPKM
SCHEMBL15208759 0.77 CYP19A1 (0.62) CYP19A1ALOX15ALDH1A1TSHRPKM
SCHEMBL664321 0.77 KMT2A (0.75) CYP19A1ALOX15ALDH1A1TSHRPKM

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
US-5314880-A Platelet activating factor antagonist BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-05-24 US disclosed