SCHEMBL22809390

SCHEMBL22809390

C=C/C(=C\C(=C\c1ccccc1)c1ccccc1)N(c1ccc(-c2ccccc2)cc1)c1cccc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL19655491 0.86 CYP2C9 (0.36) ALDH1A1HPGDSMN1; SMN2
SCHEMBL12038711 0.71 SIGMAR1 (0.37) SIGMAR1ALDH1A1
SCHEMBL4868983 0.71 SIGMAR1 (0.48) SIGMAR1ALDH1A1HPGDSMN1; SMN2
SCHEMBL16500917 0.71 SIGMAR1 (0.51) SIGMAR1ALDH1A1HPGDSMN1; SMN2
SCHEMBL16417807 0.70 SIGMAR1 (0.39) SIGMAR1ALDH1A1
SCHEMBL13856312 0.70 SIGMAR1 (0.43) SIGMAR1ALDH1A1
SCHEMBL19851285 0.69 SIGMAR1 (0.42) SIGMAR1ALDH1A1
SCHEMBL21098281 0.66 SIGMAR1 (0.43) SIGMAR1ALDH1A1
SCHEMBL25774885 0.65 SLC6A9 (0.36) —
SCHEMBL2799227 0.65 SIGMAR1 (0.54) SIGMAR1ALDH1A1HPGDSMN1; SMN2

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
EP-3754739-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT Hodogaya Chemical Co., Ltd. (JP) 2020-12-23 — — EP disclosed
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