SCHEMBL18647867

SCHEMBL18647867

COC=Cc1c(-c2ccc3ccccc3c2)ccnc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 1/20 0.43
▸ CCNC P24863 8/20 0.40
▸ CDK8 P49336 8/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ CYP2B6 P20813 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ GSTP1 P09211 1/20 0.36
▸ DHFR P00374 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL17347593 1.00 ERN1 (0.43) ERN1CCNCCDK8MEN1HTT
SCHEMBL15911816 0.88 ERN1 (0.43) ERN1CCNCCDK8CYP1A2CYP3A4
SCHEMBL23557292 0.88 ABL1 (0.41) ERN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17347566 0.85 CYP11B1 (0.32) ERN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL17343661 0.85 ERN1 (0.40) ERN1CCNCCDK8MEN1HTT
SCHEMBL15856975 0.84 IKBKB (0.36) CDK8MEN1KMT2ACYP1A2CYP2C9
SCHEMBL15911817 0.81 ERN1 (0.49) ERN1CCNCCDK8MEN1HTT
SCHEMBL25669673 0.81 KDM4E (0.38) MEN1KMT2ASLC6A4SLC6A3KDM4E
SCHEMBL17358447 0.81 ERN1 (0.41) ERN1CCNCCDK8MEN1HTT
SCHEMBL25848923 0.80 DYRK1A (0.32) —

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
US-9601704-B2 Organic light-emitting device and display apparatus CANON KABUSHIKI KAISHA (JP) 2017-03-21 — — US disclosed
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