SCHEMBL31574504

SCHEMBL31574504

O=C(O)CCC(=O)N1N=C(c2ccc(Br)cc2)CC1c1ccc2nccnc2c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ RNF114 Q9Y508 1/20 0.57
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ YAP1 P46937 1/20 0.53
▸ TEAD4 Q15561 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ GRIN2D O15399 1/20 0.51
▸ GRIN2A Q12879 1/20 0.51
▸ GRIN2B Q13224 1/20 0.51
▸ GRIN2C Q14957 1/20 0.51
▸ ACHE P22303 1/20 0.50
▸ RAD51 Q06609 1/20 0.49
▸ POLB P06746 1/20 0.49

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 0.90 MEN1 (0.59) MEN1KMT2ANPSR1CYP1A2CYP3A4
SCHEMBL31574542 0.87 KMT2A (0.56) MEN1KMT2ANPSR1CYP1A2CYP3A4
SCHEMBL31574591 0.87 MEN1 (0.56) MEN1KMT2ANPSR1CYP1A2CYP3A4
SCHEMBL31574612 0.87 RAB9A (0.62) MEN1KMT2ANPSR1L3MBTL1POLB
SCHEMBL31574600 0.87 MEN1 (0.56) MEN1KMT2ANPSR1CYP1A2CYP3A4
SCHEMBL31574531 0.85 KMT2A (0.59) MEN1KMT2ANPSR1CYP1A2CYP3A4
SCHEMBL31574507 0.85 MEN1 (0.54) MEN1KMT2ANPSR1CYP1A2CYP3A4
SCHEMBL31574513 0.85 KMT2A (0.54) MEN1KMT2ANPSR1CYP1A2CYP3A4
SCHEMBL14659832 0.85 KMT2A (0.69) MEN1KMT2ANPSR1CYP1A2CYP3A4
SCHEMBL31574583 0.84 MEN1 (0.57) MEN1KMT2ANPSR1CYP1A2CYP3A4

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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