SCHEMBL31038476

SCHEMBL31038476

Cn1cnc(-c2ncc(Br)cc2Cl)n1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.36
▸ PLAU P00749 1/20 0.35
▸ NMT1 P30419 4/20 0.33
▸ PPARA Q07869 1/20 0.31
▸ HCRTR1 O43613 1/20 0.30
▸ HCRTR2 O43614 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ RXFP1 Q9HBX9 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
SCHEMBL25296668 1.00 HSD17B10 (0.36) HSD17B10PLAUNMT1PPARAHCRTR1
SCHEMBL29818560 0.76 BDKRB1 (0.35) HSD17B10PLAUNMT1
SCHEMBL25212088 0.76 BDKRB1 (0.35) HSD17B10PLAUNMT1
SCHEMBL27042006 0.72 PLAU (0.41) HSD17B10PLAUNMT1MEN1KMT2A
SCHEMBL31501759 0.72 PLAU (0.41) HSD17B10PLAUNMT1MEN1KMT2A
SCHEMBL31348097 0.70 PPARA (0.40) PPARAHCRTR1HCRTR2MEN1KMT2A
SCHEMBL14246319 0.68 PPARA (0.38) PLAUPPARARXFP1
SCHEMBL20969942 0.67 PPARA (0.40) PPARA
SCHEMBL31038454 0.67 DYRK1A (0.37) PLAU
SCHEMBL25256052 0.67 DYRK1A (0.37) PLAU

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-118451068-A Tri-fused ring derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-08-06 — — CN disclosed
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