SCHEMBL30214735

SCHEMBL30214735

O=S(=O)(Cl)c1cc(C(F)(F)F)ccc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
ATM Q13315 1/20 0.43
EPHX2 P34913 1/20 0.41
TRPV4 Q9HBA0 1/20 0.39
MCL1 Q07820 4/20 0.38
KIF11 P52732 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.37
ERAP1 Q9NZ08 1/20 0.37
EPAS1 Q99814 1/20 0.37
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
XBP1 P17861 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD11B1 P28845 1/20 0.35
ALOX5AP P20292 1/20 0.35

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
SCHEMBL310121 1.00 ALDH1A1 (0.43) ALDH1A1L3MBTL1KMT2AMEN1TSHR
SCHEMBL308729 0.85 TRPV4 (0.42) ALDH1A1L3MBTL1KMT2AMEN1TSHR
SCHEMBL30214832 0.83 KIF11 (0.47) ALDH1A1L3MBTL1KMT2AMEN1TSHR
SCHEMBL2182720 0.83 KIF11 (0.47) ALDH1A1L3MBTL1KMT2AMEN1TSHR
SCHEMBL30700705 0.81 ALOX5AP (0.43) ALDH1A1L3MBTL1KMT2AMEN1TSHR
SCHEMBL15009785 0.81 ALOX5AP (0.43) ALDH1A1L3MBTL1KMT2AMEN1TSHR
SCHEMBL27872324 0.81 EPHX2 (0.43) ALDH1A1L3MBTL1KMT2AMEN1TSHR
SCHEMBL30161533 0.79 TRPV4 (0.47) ALDH1A1L3MBTL1KMT2AMEN1TSHR
SCHEMBL941069 0.79 TRPV4 (0.47) ALDH1A1L3MBTL1KMT2AMEN1TSHR
SCHEMBL29683114 0.79 ALDH1A1 (0.59) ALDH1A1L3MBTL1KMT2AMEN1TSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120025279-A Compounds capable of modulating endoplasmic reticulum aminopeptidase 1 格雷沃尔夫治疗有限公司 2025-05-23 CN disclosed
CN-118302417-A NLRP3 inhibitors PTC医疗公司 2024-07-05 CN disclosed
EP-4392414-A1 INHIBITORS OF NLRP3 PTC Therapeutics, Inc. (US) 2024-07-03 EP disclosed
CN-112236416-B Pyrimidine cyclohexenyl glucocorticoid receptor modulators 科赛普特治疗公司 2024-03-01 CN disclosed
WO-2023028534-A1 INHIBITORS OF NLRP3 PTC THERAPEUTICS, INC. (US) 2023-03-02 WO disclosed