SCHEMBL18857097

SCHEMBL18857097

C/C(=C\C=C(/C)N(c1ccccc1)c1cccc2ccccc12)c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 9/20 0.47
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PTPN1 P18031 2/20 0.31

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
SCHEMBL18127436 0.86 SIGMAR1 (0.43) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21098281 0.86 SIGMAR1 (0.43) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL25804992 0.84 SIGMAR1 (0.36) SIGMAR1
SCHEMBL19621783 0.84 SIGMAR1 (0.35) SIGMAR1
SCHEMBL25555640 0.81 SIGMAR1 (0.45) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL19346868 0.80 ALDH1A1 (0.37) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL19851285 0.80 SIGMAR1 (0.42) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21004214 0.79 SIGMAR1 (0.43) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16417807 0.79 SIGMAR1 (0.39) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13177377 0.78 SIGMAR1 (0.41) SIGMAR1CYP2D6L3MBTL1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3168886-B1 METALLIC LAYER COMPRISING ALKALI METAL AND SECOND METAL NOVALED GMBH (DE) 2021-06-02 — — EP disclosed
EP-3081617-B1 BLUE EMITTER WITH HIGH EFFICIENCY BASED ON IMIDAZO [1,2-F] PHENANTHRIDINE IRIDIUM COMPLEXES UNIVERSAL DISPLAY CORP (US) 2017-11-15 — — EP disclosed
EP-3168886-A1 METALLIC LAYER COMPRISING ALKALI METAL AND SECOND METAL Novaled GmbH (DE) 2017-05-17 — — EP disclosed
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