SCHEMBL23747089

SCHEMBL23747089

CCc1cc(Br)cc2cnc(NC[C@@H]3CCCCN3C(=O)OC(C)(C)C)nc12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 1/20 0.42
▸ TRPV1 Q8NER1 2/20 0.40
▸ FPR3 P25089 1/20 0.39
▸ FPR2 P25090 1/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ PDE8B O95263 1/20 0.39
▸ PDE7B Q9NP56 1/20 0.37
▸ CHEK2 O96017 1/20 0.37
▸ HCRTR1 O43613 2/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ TDO2 P48775 1/20 0.36
▸ METTL3 Q86U44 1/20 0.36
▸ GPR119 Q8TDV5 2/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ ATM Q13315 2/20 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
SCHEMBL23747090 0.84 USP30 (0.39) PRMT5TRPV1FPR3FPR2KDM1A
SCHEMBL889104 0.83 PRMT5 (0.46) PRMT5TRPV1FPR3FPR2KDM1A
SCHEMBL7204445 0.83 PRMT5 (0.46) PRMT5TRPV1FPR3FPR2KDM1A
SCHEMBL23747113 0.82 IDO1 (0.50) FPR3FPR2KDM1ACHEK2IDO1
SCHEMBL23747243 0.82 IDO1 (0.50) FPR3FPR2KDM1ACHEK2IDO1
SCHEMBL12810228 0.81 HCRTR1 (0.53) PRMT5TRPV1FPR3FPR2CHEK2
SCHEMBL12810103 0.80 FPR3 (0.49) PRMT5TRPV1FPR3FPR2KDM1A
SCHEMBL23747146 0.79 USP30 (0.41) IDO1TDO2
SCHEMBL31460749 0.78 ALDH1A1 (0.44) KDM1AIDO1TDO2GPR119
SCHEMBL1597840 0.77 PRMT5 (0.44) PRMT5TRPV1FPR3FPR2KDM1A

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-2021158516-A1 IRE1α MODULATORS AND USES THEREOF NIMBUS IASO, INC. (US) 2021-08-12 — — WO disclosed
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