SCHEMBL31359403

SCHEMBL31359403

Cc1nc(C(C)O)cn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
MCHR1 Q99705 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
SCHEMBL3502446 0.85 SMN1; SMN2 (0.30)
SCHEMBL23704620 0.82 HSP90AA1 (0.32) CYP11B1CYP11B2
SCHEMBL3503154 0.81
SCHEMBL6970351 0.77 CYP2A6 (0.38) CYP2D6
SCHEMBL4884756 0.76 CYP11B1 (0.35) NPSR1CYP11B1CYP11B2
SCHEMBL7809080 0.76 MAPT (0.34) NPSR1
SCHEMBL9408078 0.75 ALDH1A1 (0.36) MEN1KMT2ANPSR1TDP1CYP11B1
SCHEMBL6963771 0.74
SCHEMBL3500675 0.73 CYP11B1 (0.33) NPSR1CYP11B1CYP11B2
SCHEMBL10676751 0.73 NOTUM (0.36) MEN1KMT2ANPSR1CYP11B1CYP11B2

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-2024240240-A1 IMIDAZOLE DERIVATIVES, INTERMEDIATE, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏恩华药业股份有限公司 2024-11-28 WO disclosed