SCHEMBL30279192

SCHEMBL30279192

CCOC(=O)Cn1ccc2cc(F)cc(Br)c2c1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TNF P01375 7/20 0.41
▸ PIN1 Q13526 1/20 0.40
▸ PIN4 Q9Y237 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ KAT2A Q92830 1/20 0.38
▸ KAT2B Q92831 1/20 0.38

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
SCHEMBL25073871 1.00 KDM4E (0.43) KDM4EALDH1A1TNFPIN1PIN4
SCHEMBL30874370 0.82 KDM4E (0.47) KDM4EALDH1A1TNFPIN1PIN4
SCHEMBL18956056 0.82 KDM4E (0.47) KDM4EALDH1A1TNFPIN1PIN4
SCHEMBL30279202 0.82 KMT2A (0.42) KDM4EALDH1A1POLBNPC1
SCHEMBL25073869 0.82 KMT2A (0.42) KDM4EALDH1A1POLBNPC1
SCHEMBL20037274 0.76 ALDH1A1 (0.50) KDM4EALDH1A1TNFGAAL3MBTL1
SCHEMBL18956134 0.75 KDM4E (0.45) KDM4EALDH1A1PIN1PIN4POLB
SCHEMBL18955878 0.75 PSMB1 (0.58) KDM4EALDH1A1TNF
SCHEMBL20786879 0.75 TNF (0.51) KDM4EALDH1A1TNFPOLB
SCHEMBL20512455 0.75 ALDH1A1 (0.42) KDM4EALDH1A1TNFNPSR1RXFP1

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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