SCHEMBL31746932

SCHEMBL31746932

C[C@H](NC(=O)Cn1ccc2cccc(N)c2c1=O)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 15/20 0.53
▸ PSMB1 P20618 1/20 0.44
▸ PSMB5 P28074 1/20 0.44
▸ GRIN2B Q13224 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ NTSR1 P30989 2/20 0.40

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
SCHEMBL25073923 1.00 ELANE (0.53) ELANEPSMB1PSMB5GRIN2BKDM4E
SCHEMBL25073875 0.86 PSMB1 (0.44) ELANEPSMB1PSMB5GRIN2BKDM4E
SCHEMBL25073775 0.81 KDM4E (0.45) ELANEKDM4E
SCHEMBL30279125 0.81 KDM4E (0.45) ELANEKDM4E
SCHEMBL25073922 0.76 ALDH1A1 (0.51) KDM4E
SCHEMBL31746912 0.76 ALDH1A1 (0.51) KDM4E
SCHEMBL25073633 0.74 GRIN2B (0.43) ELANEPSMB1PSMB5GRIN2BNTSR1
SCHEMBL25073780 0.73 GRIN2B (0.41) ELANEPSMB1PSMB5GRIN2BNTSR1
SCHEMBL25073854 0.73 GRIN2B (0.41) ELANEPSMB1PSMB5GRIN2BNTSR1
SCHEMBL25073916 0.73 GRIN2B (0.41) ELANEPSMB1PSMB5GRIN2BNTSR1

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
EP-4387963-B1 PHENYL- AND PYRIDOPYRAZOLE DERIVATIVES AS INHIBITORS OF DDR1 REDX PHARMA LTD (GB) 2025-12-24 — — EP disclosed
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