SCHEMBL29072072

SCHEMBL29072072

O=C(O)N1Cc2[nH]c3nnc(Cl)cc3c2C1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BAZ2B Q9UIF8 4/20 0.34
▸ TRPV1 Q8NER1 5/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ MCL1 Q07820 1/20 0.31
▸ CGAS Q8N884 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ PABPC1 P11940 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL29619433 0.80 PARP1 (0.45) MEN1KMT2ASMN1; SMN2
SCHEMBL30552565 0.80 PARP1 (0.45) MEN1KMT2ASMN1; SMN2
SCHEMBL23580738 0.78 MTHFD2 (0.41) BAZ2BTRPV1MEN1CYP1A2CYP3A4
SCHEMBL29072082 0.76 SMARCA2 (0.39) TRPV1
SCHEMBL30552452 0.74 LMNA (0.44) BAZ2BMEN1MAPTKMT2ACGAS
SCHEMBL30552513 0.69 SIRT1 (0.37) MEN1CYP1A2KMT2ALMNA
SCHEMBL30552427 0.69 — —
SCHEMBL408088 0.69 BAZ2B (0.52) BAZ2BMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL30994144 0.67 — —
SCHEMBL30228505 0.66 MAPT (0.61) BAZ2BTRPV1MEN1CYP1A2CYP3A4

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-116744929-A Compounds and uses thereof 福霍恩治疗公司 2023-09-12 — — CN disclosed
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