SCHEMBL7975176

SCHEMBL7975176

O=C(O)C1=Cc2cc(Br)ccc2S(=O)(=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.38
SRD5A1 P18405 1/20 0.35
SRD5A2 P31213 1/20 0.35
KDM4E B2RXH2 2/20 0.33
GLA P06280 1/20 0.33
VEGFA P15692 1/20 0.31
MAPT P10636 2/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PLA2G1B P04054 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ATG4B Q9Y4P1 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL7216568 0.84 CA2 (0.33) CTSLPTGDR2ALDH1A1CA1CA2
SCHEMBL7931558 0.83 CTSL (0.39) CTSLPTGDR2KDM4EVEGFAMAPT
SCHEMBL7974920 0.79 BCL2L1 (0.39) PTGDR2KDM4EKMT2ALMNA
SCHEMBL6756663 0.78 MAPK1 (0.35) PTGDR2MEN1KMT2A
SCHEMBL3499284 0.78 ALAD (0.35) PTGDR2SRD5A1SRD5A2VEGFA
SCHEMBL7929501 0.78 MCL1 (0.39) PTGDR2MAPT
Hydrochloric Acid SCHEMBL7922067 0.77 MAPK1 (0.34) PTGDR2MEN1KMT2ALMNA
SCHEMBL7972704 0.77 KMO (0.40) MEN1KMT2A
SCHEMBL7970423 0.76 HAO1 (0.35)
SCHEMBL7931169 0.75 CA12 (0.39) PTGDR2SRD5A2

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-6235771-B1 AIDS THERPAY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed