SCHEMBL30279167

SCHEMBL30279167

O=C(Cn1ccc2cccc(Br)c2c1=O)NCC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ USP2 O75604 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ PSMB1 P20618 1/20 0.39
▸ PSMB5 P28074 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ NLRP3 Q96P20 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HPGD P15428 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL30279166 1.00 KDM4E (0.45) KDM4ESMN1; SMN2USP2LMNAMAPK1
SCHEMBL25073774 1.00 KDM4E (0.45) KDM4ESMN1; SMN2USP2LMNAMAPK1
SCHEMBL30279125 0.86 KDM4E (0.45) KDM4ESMN1; SMN2USP2LMNAMAPK1
SCHEMBL25073775 0.86 KDM4E (0.45) KDM4ESMN1; SMN2USP2LMNAMAPK1
SCHEMBL25073870 0.85 PSMB1 (0.41) KDM4ESMN1; SMN2USP2LMNAMAPK1
SCHEMBL30279156 0.85 PSMB1 (0.41) KDM4ESMN1; SMN2USP2LMNAMAPK1
SCHEMBL25073875 0.81 PSMB1 (0.44) KDM4EPSMB1PSMB5
SCHEMBL31162542 0.78 NLRP3 (0.51) KDM4ESMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL25073874 0.78 NLRP3 (0.51) KDM4ESMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL25073776 0.78 KMT2A (0.51) KDM4ELMNAPSMB1PSMB5ALDH1A1

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
EP-4387963-A1 PHENYL- AND PYRIDOPYRAZOLE DERIVATIVES AS INHIBITORS OF DDR1 Redx Pharma Limited (GB) 2024-06-26 — — EP disclosed
WO-2023021278-A1 PHENYL- AND PYRIDOPYRAZOLE DERIVATIVES AS INHIBITORS OF DDR1 REDX PHARMA PLC (GB) 2023-02-23 — — WO disclosed
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