SCHEMBL31396394

SCHEMBL31396394

O=C(CSc1nnnn1-c1ccc(C(=O)O)cc1)NCc1cccc(F)c1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.61
▸ KMT2A Q03164 5/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.60
▸ HPGD P15428 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ ALDH1A1 P00352 5/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.51
▸ TSHR P16473 1/20 0.51

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
SCHEMBL21952070 1.00 MEN1 (0.61) MEN1KMT2ANPSR1HPGDKDM4E
SCHEMBL22010389 0.89 HPGD (0.69) MEN1KMT2ANPSR1HPGDALDH1A1
SCHEMBL24210198 0.88 KDM4E (0.64) MEN1KMT2ANPSR1HPGDKDM4E
SCHEMBL31396071 0.88 MEN1 (0.65) MEN1KMT2ANPSR1HPGDKDM4E
SCHEMBL21952075 0.88 MEN1 (0.65) MEN1KMT2ANPSR1HPGDKDM4E
SCHEMBL21952060 0.86 KMT2A (0.58) MEN1KMT2ANPSR1HPGDKDM4E
SCHEMBL31396269 0.86 KMT2A (0.58) MEN1KMT2ANPSR1HPGDKDM4E
SCHEMBL12717727 0.85 MEN1 (0.70) MEN1KMT2ANPSR1HPGDKDM4E
SCHEMBL21952023 0.85 ALDH1A1 (0.58) MEN1KMT2ANPSR1HPGDKDM4E
SCHEMBL31396267 0.85 ALDH1A1 (0.58) MEN1KMT2ANPSR1HPGDKDM4E

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
CN-115768422-B Ubiquitin ligase inhibitors for the treatment of cancer 诺沃亚桑托斯教授基金会 2025-03-04 — — CN disclosed
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