SCHEMBL29430705

SCHEMBL29430705

CS(=O)(=O)c1ccc(Br)cc1F

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 1/20 0.49
AKR1B1 P15121 2/20 0.49
CCR2 P41597 3/20 0.42
DGAT1 O75907 1/20 0.41
APLNR P35414 4/20 0.41
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
HSD11B1 P28845 1/20 0.38
PFKFB4 Q16877 1/20 0.37

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
SCHEMBL1581645 1.00 NMT1 (0.49) NMT1AKR1B1CCR2DGAT1APLNR
SCHEMBL707997 0.83 WDR5 (0.42) NMT1AKR1B1CCR2DGAT1APLNR
SCHEMBL15845179 0.81 AKR1B1 (0.50) NMT1AKR1B1DGAT1APLNRALOX15
SCHEMBL28144564 0.81 AKR1B1 (0.50) NMT1AKR1B1DGAT1APLNRALOX15
SCHEMBL3112984 0.80 CCR2 (0.44) CCR2TSHRL3MBTL1CA1CA2
SCHEMBL16011120 0.80 NMT1 (0.47) NMT1AKR1B1DGAT1APLNRALOX15
SCHEMBL1347919 0.79 AKR1B1 (0.49) NMT1AKR1B1DGAT1APLNRCA1
SCHEMBL10296145 0.79 AKR1B1 (0.49) NMT1AKR1B1DGAT1APLNRALOX15
SCHEMBL15594384 0.79 AKR1B1 (0.49) NMT1AKR1B1DGAT1APLNRALOX15
SCHEMBL30714290 0.79 AKR1B1 (0.49) NMT1AKR1B1DGAT1APLNRCA1

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-119306646-A Process for preparing pyrrole amide compounds and intermediates therefor 广东东阳光药业股份有限公司 2025-01-14 CN disclosed
CN-119306645-A Process for preparing pyrrole amide compounds and intermediates therefor 广东东阳光药业股份有限公司 2025-01-14 CN disclosed
CN-115246785-B Process for preparing pyrrole amide compounds 年衍药业(珠海)有限公司 2024-03-26 CN disclosed
CN-115246785-A Process for producing pyrrole amide compound 年衍药业(珠海)有限公司 2022-10-28 CN disclosed
EP-3966196-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS Grey Wolf Therapeutics Limited (GB) 2022-03-16 EP disclosed