SCHEMBL31438692

SCHEMBL31438692

CC(NC(=O)c1cc(Cl)ccc1NC(=O)c1cc(Br)nn1-c1ncccc1Cl)C1CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TRPV1 Q8NER1 2/20 0.38
▸ F10 P00742 1/20 0.38
▸ IDO1 P14902 4/20 0.38
▸ NAMPT P43490 2/20 0.37
▸ MALT1 Q9UDY8 1/20 0.36
▸ RBP4 P02753 1/20 0.36
▸ CCR8 P51685 1/20 0.35
▸ IRAK1 P51617 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ RIPK1 Q13546 1/20 0.35

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
SCHEMBL589798 1.00 DHODH (0.41) DHODHNPC1RAB9ATRPV1F10
SCHEMBL29416624 0.89 IDO1 (0.38) DHODHNPC1RAB9AIDO1NAMPT
SCHEMBL196132 0.89 IDO1 (0.38) DHODHNPC1RAB9AIDO1NAMPT
SCHEMBL590485 0.88 TRPV1 (0.42) NPC1RAB9ATRPV1F10IDO1
SCHEMBL230723 0.88 IDO1 (0.38) DHODHNPC1RAB9AIDO1NAMPT
SCHEMBL27174182 0.88 IDO1 (0.38) DHODHNPC1RAB9AIDO1NAMPT
SCHEMBL29355401 0.88 IDO1 (0.38) DHODHNPC1RAB9AIDO1NAMPT
SCHEMBL29416636 0.88 IDO1 (0.38) DHODHNPC1RAB9AIDO1NAMPT
SCHEMBL195314 0.87 DHODH (0.40) DHODHNPC1RAB9AIDO1NAMPT
SCHEMBL29416550 0.87 DHODH (0.40) DHODHNPC1RAB9AIDO1NAMPT

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
WO-2025056008-A1 PYRIPYROPENE DERIVATIVE, AND COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2025-03-20 — — WO disclosed
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