SCHEMBL24643277

SCHEMBL24643277

O=C(O)CNCc1cccc(F)c1Br

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
CXCL8 P10145 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SCN3A Q9NY46 1/20 0.37
MPO P05164 2/20 0.36

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
SCHEMBL20564577 0.83 SMN1; SMN2 (0.46) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL16702802 0.83 KMT2A (0.53) MEN1KMT2AKDM4ECXCL8SMN1; SMN2
SCHEMBL19950428 0.80 TSHR (0.42) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL29182440 0.79 VSIR (0.39) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL286505 0.78 FFAR1 (0.45) MEN1KMT2ASMN1; SMN2ALDH1A1MPO
SCHEMBL31033368 0.78 FFAR1 (0.45) MEN1KMT2ASMN1; SMN2ALDH1A1MPO
SCHEMBL24643278 0.78 MEN1 (0.37) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL30558299 0.78 CXCL8 (0.53) MEN1KMT2AKDM4ECXCL8ALDH1A1
SCHEMBL25679309 0.78 CXCL8 (0.53) MEN1KMT2AKDM4ECXCL8ALDH1A1
SCHEMBL22513302 0.77 PDCD1LG2 (0.45) MEN1KMT2ASMN1; SMN2ALDH1A1MPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117500811-A Covalent RAS inhibitors and uses thereof 锐新医药公司 2024-02-02 CN disclosed
WO-2022235866-A1 COVALENT RAS INHIBITORS AND USES THEREOF Revolution Medicines, Inc. (US) 2022-11-10 WO disclosed