SCHEMBL30696367

SCHEMBL30696367

COc1cc(CNc2nc(Cl)ncc2[N+](=O)[O-])ccc1-n1nc(C(F)(F)F)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 4/20 0.38
▸ PRKCQ Q04759 6/20 0.37
▸ PDE5A O76074 2/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE3A Q14432 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
SCHEMBL27174482 1.00 PIN1 (0.38) PIN1PRKCQPDE5ANPC1PDE4B
SCHEMBL27031390 0.88 USP1 (0.42) PIN1PRKCQNPC1PDE4BPDE3A
SCHEMBL29878746 0.88 USP1 (0.42) PIN1PRKCQNPC1PDE4BPDE3A
SCHEMBL27174345 0.85 USP1 (0.36) PDE5APDE4BPDE3A
SCHEMBL29878920 0.84 PRKCQ (0.37) PIN1PRKCQNPC1PDE4BPDE3A
SCHEMBL27031660 0.84 PRKCQ (0.37) PIN1PRKCQNPC1PDE4BPDE3A
SCHEMBL29878665 0.82 PRKCQ (0.40) PIN1PRKCQNPC1
SCHEMBL27031673 0.82 PRKCQ (0.40) PIN1PRKCQNPC1
SCHEMBL30677054 0.80 PRKCQ (0.38) PIN1PRKCQNPC1
SCHEMBL30461982 0.80 STIM1 (0.41) PDE5A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4547336-A1 USP1 INHIBITORS AND USES THEREOF Zentaur Therapeutics USA Inc. (US) 2025-05-07 — — EP disclosed
CN-119836421-A USP1 inhibitors and uses thereof 森韬医药美国公司 2025-04-15 — — CN disclosed
WO-2024006879-A1 USP1 INHIBITORS AND USES THEREOF ZENTAUR THERAPEUTICS USA INC. (US) 2024-01-04 — — WO disclosed
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