SCHEMBL25907172

SCHEMBL25907172

Clc1ccc2scc(-c3cccc(C4=CC=CCC4)c3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.38
MAPT P10636 9/20 0.37
LMNA P02545 4/20 0.37
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
THRB P10828 1/20 0.32
CA2 P00918 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
SCHEMBL9565769 0.86 CYP2A6 (0.44) CYP2A6MAPTLMNATP53SMN1; SMN2
SCHEMBL29327032 0.76 HTR2C (0.46) TP53SMN1; SMN2
SCHEMBL11617762 0.73 CYP2A6 (0.53) CYP2A6MAPTLMNATP53SMN1; SMN2
SCHEMBL9565797 0.69 CHRM2 (0.39) CYP2A6MAPTLMNASMN1; SMN2
SCHEMBL25615298 0.68 CHUK (0.40) MAPTLMNA
SCHEMBL8181096 0.68 SIGMAR1 (0.38) CYP2A6MAPTLMNASMN1; SMN2THRB
SCHEMBL13139758 0.67 CHRNB4 (0.40)
SCHEMBL25623867 0.66 EDNRA (0.34) LMNA
SCHEMBL4363866 0.66 ROCK1 (0.53) CYP2A6MAPTLMNASMN1; SMN2KEAP1
SCHEMBL25583889 0.66 KMT2A (0.38) THRB

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-2023134696-A1 COMPOUND, ORGANIC LIGHT EMITTING DEVICE, AND ELECTRONIC DEVICE 华为技术有限公司 2023-07-20 WO disclosed