SCHEMBL29845480

SCHEMBL29845480

Cc1c(C(=O)O)cc(Br)nc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
GPR35 Q9HC97 2/20 0.38
MYC P01106 2/20 0.37
NR4A1 P22736 2/20 0.37
PPARA Q07869 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HPGD P15428 1/20 0.35
EPRS1 P07814 1/20 0.35
SORT1 Q99523 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
SCHEMBL1945483 0.81 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2KEAP1NFE2L2MAPK1
SCHEMBL3407348 0.81 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KEAP1NFE2L2MAPK1
SCHEMBL31267853 0.81 L3MBTL1 (0.41) ALDH1A1SMN1; SMN2KDM4EKMT2ANPC1
SCHEMBL10426645 0.79 POLB (0.45) ALDH1A1SMN1; SMN2KEAP1NFE2L2MAPK1
SCHEMBL30067156 0.78 KEAP1 (0.46) ALDH1A1SMN1; SMN2KEAP1NFE2L2MAPK1
SCHEMBL31510037 0.75 MEN1 (0.42) ALDH1A1SMN1; SMN2KEAP1NFE2L2MAPK1
SCHEMBL14394737 0.75 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KEAP1NFE2L2MAPK1
SCHEMBL21609841 0.74 KEAP1 (0.42) ALDH1A1SMN1; SMN2KEAP1NFE2L2MAPK1
SCHEMBL11985860 0.71 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2MAPK1
SCHEMBL14462651 0.71 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4380565-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2024-06-12 EP disclosed
EP-4301756-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2024-01-10 EP disclosed
WO-2023015199-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2023-02-09 WO disclosed
WO-2022187856-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2022-09-09 WO disclosed