SCHEMBL31574591

SCHEMBL31574591

CC(C)c1ccc(C2=NN(C(=O)CCC(=O)O)C(c3ccc4nccnc4c3)C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.56
▸ KMT2A Q03164 5/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ RXRA P19793 1/20 0.49
▸ RXRB P28702 1/20 0.49
▸ RXRG P48443 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ POLB P06746 3/20 0.48
▸ BLM P54132 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ RAB9A P51151 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ RCE1 Q9Y256 1/20 0.46

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
SCHEMBL31574522 0.89 MEN1 (0.59) MEN1KMT2ANPSR1CYP1A2CYP3A4
SCHEMBL31574513 0.88 KMT2A (0.54) MEN1KMT2ANPSR1CYP1A2CYP3A4
SCHEMBL31574504 0.87 MEN1 (0.59) MEN1KMT2ANPSR1CYP1A2CYP3A4
SCHEMBL31574567 0.87 MEN1 (0.53) MEN1KMT2ANPSR1CYP1A2CYP3A4
SCHEMBL31574611 0.87 MEN1 (0.53) MEN1KMT2ANPSR1CYP1A2CYP3A4
SCHEMBL31574612 0.87 RAB9A (0.62) MEN1KMT2ANPSR1L3MBTL1POLB
SCHEMBL31574600 0.86 MEN1 (0.56) MEN1KMT2ANPSR1CYP1A2CYP3A4
SCHEMBL31574542 0.85 KMT2A (0.56) MEN1KMT2ANPSR1CYP1A2CYP3A4
SCHEMBL31574531 0.85 KMT2A (0.59) MEN1KMT2ANPSR1CYP1A2CYP3A4
SCHEMBL31574536 0.83 KMT2A (0.60) MEN1KMT2ACYP1A2CYP3A4CYP2C9

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-119998272-A Methanogen inhibitors 阿格里泽伦茨有限合伙公司 2025-05-13 — — CN disclosed
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