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Sugi Predict / Compounds / SCHEMBL19258046

SCHEMBL19258046

SCHEMBL19258046

C1=CC(c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)cc2)CC=C1c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.33
▸ MAOB P27338 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 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
SCHEMBL25056856 1.00 KDM1A (0.33) KDM1AMAOBKDM4EALDH1A1CYP1A2
SCHEMBL25012260 1.00 KDM1A (0.33) KDM1AMAOBKDM4EALDH1A1CYP1A2
SCHEMBL15494343 1.00 KDM1A (0.33) KDM1AMAOBKDM4EALDH1A1CYP1A2
SCHEMBL18790851 0.97 KDM4E (0.33) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL26901621 0.97 KDM4E (0.33) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL20859799 0.97 ALDH1A1 (0.34) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL19797512 0.96 GPR88 (0.31) KDM1AMAOBKDM4EALDH1A1CYP1A2
SCHEMBL19942808 0.94 — —
SCHEMBL18753076 0.90 — —
SCHEMBL19593296 0.89 — —

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-3205658-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2017-08-16 — — EP disclosed