SCHEMBL29945784

SCHEMBL29945784

C=C(OCC)c1c(F)cc(Br)cc1C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.40
KMT2A Q03164 1/20 0.40
NOTUM Q6P988 1/20 0.38
GPR35 Q9HC97 1/20 0.36
MAPT P10636 2/20 0.35
PKM P14618 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.34
SOS1 Q07889 1/20 0.34
PTGES O14684 1/20 0.34
TP53 P04637 1/20 0.34
MAP2K1 Q02750 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL23526377 1.00 ALOX5 (0.40) ALOX5KMT2ANOTUMGPR35MAPT
SCHEMBL25839669 0.87 KMT2A (0.48) ALOX5KMT2ANOTUMGPR35MAPT
SCHEMBL20076067 0.81 NOTUM (0.42) ALOX5NOTUMMAPTPKMKDM4E
SCHEMBL22164043 0.79 KDM4E (0.49) NOTUMMAPTKDM4EHSD17B10
SCHEMBL23526095 0.78 NOTUM (0.41) KMT2ANOTUMGPR35MAPTPKM
SCHEMBL19138136 0.78 TSHR (0.45) KMT2AKDM4ETP53TSHR
SCHEMBL29945901 0.77 KMT2A (0.41) KMT2AMAPTPKMKDM4EHSD17B10
SCHEMBL23526480 0.77 KMT2A (0.41) KMT2AMAPTPKMKDM4EHSD17B10
SCHEMBL23526253 0.76 NR4A2 (0.43) KMT2AMAPTKDM4EHSD17B10
SCHEMBL31559525 0.76 NR4A2 (0.43) KMT2AMAPTKDM4EHSD17B10

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
CN-119462626-A SOS1 inhibitors 米拉蒂治疗股份有限公司 2025-02-18 CN disclosed
CN-115135315-B SOS1 inhibitors 米拉蒂治疗股份有限公司 2024-11-26 CN disclosed
EP-4076418-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2022-10-26 EP disclosed
CN-115135315-A SOS1 inhibitors 米拉蒂治疗股份有限公司 2022-09-30 CN disclosed