SCHEMBL21028074

SCHEMBL21028074

C/C=C\C(=C/C)N(c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 10/20 0.47
▸ ALDH1A1 P00352 2/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ MCL1 Q07820 1/20 0.34
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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 0.81 SIGMAR1 (0.47) SIGMAR1ALDH1A1KMT2ASLC6A2SLC6A4
SCHEMBL21028158 0.80 TRPM4 (0.39) SIGMAR1ALDH1A1KMT2ACYP1A2CYP2A6
SCHEMBL22593575 0.76 SIGMAR1 (0.39) SIGMAR1KMT2ACYP1A2MCL1CYP2D6
SCHEMBL24039919 0.76 SIGMAR1 (0.42) SIGMAR1ALDH1A1KMT2ASLC6A2SLC6A4
SCHEMBL19832806 0.76 SIGMAR1 (0.40) SIGMAR1ALDH1A1KMT2AL3MBTL1CYP1A2
SCHEMBL13177283 0.73 SIGMAR1 (0.42) SIGMAR1ALDH1A1KMT2A
SCHEMBL19775768 0.71 SIGMAR1 (0.59) SIGMAR1ALDH1A1SLC6A2SLC6A4CYP1A2
SCHEMBL17710565 0.71 SIGMAR1 (0.64) SIGMAR1ALDH1A1L3MBTL1CYP1A2CYP2A6
SCHEMBL21653369 0.70 NPSR1 (0.43) ALDH1A1KMT2AL3MBTL1
SCHEMBL9547596 0.70 SIGMAR1 (0.52) SIGMAR1ALDH1A1CYP1A2CYP2A6

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-3489325-B1 ORGANIC ELECTROLUMINESCENT DEVICE LG DISPLAY CO LTD (KR) 2020-06-10 — — EP disclosed
EP-3489325-A1 ORGANIC ELECTROLUMINESCENT DEVICE LG Display Co., Ltd. (KR) 2019-05-29 — — EP disclosed
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