SCHEMBL19310330

SCHEMBL19310330

C=C/C=C(\C=C/C)N(c1ccc(-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)cc1)c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 0.43
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL19802460 0.90 SIGMAR1 (0.47) SIGMAR1ALDH1A1KMT2ACYP1A2CYP3A4
SCHEMBL22755838 0.88 SIGMAR1 (0.33) SIGMAR1
SCHEMBL13856312 0.85 SIGMAR1 (0.43) SIGMAR1ALDH1A1KMT2ACYP1A2CYP3A4
SCHEMBL18903960 0.82 KDM4E (0.33) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL19981315 0.82 SIGMAR1 (0.42) SIGMAR1ALDH1A1KMT2ACYP1A2CYP3A4
SCHEMBL21577623 0.81 TRPM8 (0.33) ALDH1A1KMT2AL3MBTL1
SCHEMBL14079580 0.80 SIGMAR1 (0.38) SIGMAR1ALDH1A1KMT2ACYP1A2CYP3A4
SCHEMBL21168402 0.80 SIGMAR1 (0.44) SIGMAR1ALDH1A1KMT2ACYP1A2CYP3A4
SCHEMBL21004214 0.79 SIGMAR1 (0.43) SIGMAR1ALDH1A1KMT2ACYP1A2CYP3A4
SCHEMBL20085568 0.79 ALDH1A1 (0.32) SIGMAR1ALDH1A1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3214666-B1 ORGANIC LIGHT EMITTING ELEMENT UNIV KYUSHU NAT UNIV CORP (JP) 2019-08-28 — — EP disclosed
EP-3214666-A1 ORGANIC LIGHT EMITTING ELEMENT Kyushu University National University Corporation (JP) 2017-09-06 — — EP disclosed
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