SCHEMBL31751571

SCHEMBL31751571

Nc1c(-c2ccccc2)cc(CN2C(=O)c3ccccc3C2=O)cc1[13C](=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC7 Q8WUI4 6/20 0.57
▸ HDAC1 Q13547 5/20 0.57
▸ HDAC4 P56524 3/20 0.57
▸ HDAC8 Q9BY41 3/20 0.57
▸ HDAC6 Q9UBN7 3/20 0.57
▸ HDAC9 Q9UKV0 3/20 0.57
▸ HDAC5 Q9UQL6 3/20 0.57
▸ KMT2A Q03164 5/20 0.53
▸ MEN1 O00255 3/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ HPGD P15428 2/20 0.49
▸ PTPN1 P18031 2/20 0.46
▸ PTPN2 P17706 1/20 0.46
▸ PTPN6 P29350 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ CA12 O43570 1/20 0.45

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
SCHEMBL6803239 0.79 KMT2A (0.56) HDAC7HDAC1HDAC4HDAC8HDAC6
SCHEMBL31753192 0.76 KMT2A (0.55) HDAC7HDAC1HDAC4HDAC8HDAC6
SCHEMBL31752032 0.74 KMT2A (0.63) HDAC7HDAC1HDAC4HDAC8HDAC6
SCHEMBL31751790 0.74 KMT2A (0.68) HDAC7HDAC1HDAC4HDAC8HDAC6
SCHEMBL2487599 0.74 PTPN1 (0.49) HDAC7KMT2AMEN1ALDH1A1GAA
SCHEMBL31752021 0.74 KMT2A (0.63) HDAC7HDAC1HDAC4HDAC8HDAC6
SCHEMBL24577976 0.73 HDAC7 (1.00) HDAC7HDAC1HDAC4HDAC8HDAC6
SCHEMBL17029125 0.73 CASP3 (0.66) HDAC7HDAC1KMT2AMEN1ALDH1A1
SCHEMBL12292220 0.72 PTPN1 (0.66) KMT2AMEN1PTPN1PTPN2PTPN6
SCHEMBL2107588 0.71 KMT2A (0.63) HDAC7HDAC1HDAC4HDAC8HDAC6

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-2025260150-A1 NOVEL N-BENZYL PHTHALIMIDES FOR THE TREATMENT OF PAIN. METHODS OF PREPARATION AND THERAPEUTIC USE MICROBIOLÓGICA QUÍMICA E FARMACÊUTICA LTDA. (BR) 2025-12-26 — — WO disclosed
Send feedback