SCHEMBL24933525

SCHEMBL24933525

N=Cc1c(NPI)ccc(Nc2nn(-c3cncc([N+](=O)[O-])c3)c3ccccc23)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.33

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
SCHEMBL24934282 0.76 ABL1 (0.37) —
SCHEMBL30162968 0.72 RXRA (0.33) RORC
SCHEMBL29218310 0.72 RXRA (0.33) RORC
SCHEMBL30163022 0.70 NPC1 (0.42) —
SCHEMBL24933540 0.70 RORC (0.33) RORC
SCHEMBL24934290 0.68 RORC (0.36) RORC
SCHEMBL24933537 0.66 KMT2A (0.41) —
SCHEMBL24934206 0.65 ABL1 (0.39) RORC
SCHEMBL24934261 0.64 DDR2 (0.32) RORC
SCHEMBL24934289 0.62 TRPV1 (0.45) —

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-2023009475-A1 ROCK2 INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-02-02 — — WO disclosed
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