SCHEMBL14922764

SCHEMBL14922764

Cc1cc2cccc3c(=O)c(=C(C#N)C#N)c(c1)c23

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 5/20 0.70
▸ CYP1A2 P05177 4/20 0.34
▸ CYP2A6 P11509 2/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ MAP1LC3B Q9GZQ8 1/20 0.33
▸ IDH1 O75874 1/20 0.32
▸ MAOA P21397 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.30
▸ MEN1 O00255 2/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ CYP3A4 P08684 2/20 0.30
▸ GAA P10253 2/20 0.30
▸ MAPT P10636 2/20 0.30
▸ HPGD P15428 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ INPPL1 O15357 1/20 0.30
▸ NSD2 O96028 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ POLB P06746 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
SCHEMBL12113984 0.86 MCL1 (0.53) MCL1KDM4E
SCHEMBL2367407 0.83 MCL1 (1.00) MCL1CYP1A2CA1CA2MAP1LC3B
SCHEMBL13302002 0.81 MCL1 (0.67) MCL1CYP1A2CA1CA2MAP1LC3B
SCHEMBL13302003 0.81 MCL1 (0.71) MCL1CA1CA2MAP1LC3B
SCHEMBL13694210 0.80 MCL1 (0.65) MCL1CA1CA2MAP1LC3BKDM4E
SCHEMBL13302005 0.77 MCL1 (0.43) MCL1
SCHEMBL14922765 0.75 MCL1 (0.67) MCL1CYP1A2CYP2A6CA1CA2
Water SCHEMBL27730349 0.70 CYP1A2 (0.48) MCL1CYP1A2CYP2A6MAOAKDM4E
SCHEMBL9807294 0.70 CYP1A2 (0.52) CYP1A2CYP2A6MAOAKDM4EALDH1A1
SCHEMBL12114036 0.69 MCL1 (0.58) MCL1KDM4EMEN1ALDH1A1KMT2A

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
US-8465889-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2013-06-18 — — US disclosed
US-8435706-B2 — — 2013-05-07 — — US disclosed
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