SCHEMBL25073870

SCHEMBL25073870

O=C(Cn1ccc2cc(F)cc(Br)c2c1=O)NCC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PSMB1 P20618 2/20 0.41
▸ PSMB5 P28074 2/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 5/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ USP2 O75604 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MAPT P10636 4/20 0.35
▸ RXFP1 Q9HBX9 3/20 0.35
▸ POLB P06746 1/20 0.34

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
SCHEMBL30279156 1.00 PSMB1 (0.41) PSMB1PSMB5MEN1KMT2AKDM4E
SCHEMBL30279167 0.85 KDM4E (0.45) PSMB1PSMB5MEN1KMT2AKDM4E
SCHEMBL30279166 0.85 KDM4E (0.45) PSMB1PSMB5MEN1KMT2AKDM4E
SCHEMBL25073774 0.85 KDM4E (0.45) PSMB1PSMB5MEN1KMT2AKDM4E
SCHEMBL30279202 0.80 KMT2A (0.42) PSMB1PSMB5MEN1KMT2AKDM4E
SCHEMBL25073869 0.80 KMT2A (0.42) PSMB1PSMB5MEN1KMT2AKDM4E
SCHEMBL25073775 0.75 KDM4E (0.45) MEN1KMT2AKDM4ENPC1ALDH1A1
SCHEMBL30279125 0.75 KDM4E (0.45) MEN1KMT2AKDM4ENPC1ALDH1A1
SCHEMBL25073871 0.74 KDM4E (0.43) KDM4ENPC1ALDH1A1RXFP1POLB
SCHEMBL30279192 0.74 KDM4E (0.43) KDM4ENPC1ALDH1A1RXFP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023021278-A1 PHENYL- AND PYRIDOPYRAZOLE DERIVATIVES AS INHIBITORS OF DDR1 REDX PHARMA PLC (GB) 2023-02-23 — — WO disclosed
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