SCHEMBL16601620

SCHEMBL16601620

COC(=O)c1cccc(-c2cnc3c(c2)C(=O)C(=O)c2cc(C)cnc2-3)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.54
NEK1 Q96PY6 5/20 0.53
AXL P30530 1/20 0.50
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA5 P31644 1/20 0.49
GABRA3 P34903 1/20 0.49
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
DHODH Q02127 1/20 0.45
KMT2A Q03164 1/20 0.44
ERN1 O75460 1/20 0.43
SGK1 O00141 1/20 0.42
CAMKK2 Q96RR4 1/20 0.42
FYN P06241 1/20 0.41
SYK P43405 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL16601618 0.79 CA12 (0.54) CDK8GABRG2GABRB3GABRA5GABRA3
SCHEMBL16602016 0.78 MAP4K4 (0.56) AXLFYNSYK
SCHEMBL16601622 0.78 KMT2A (0.48) KMT2AFYNALDH1A1
SCHEMBL1950804 0.76 CDK8 (0.56) CDK8NEK1AXLGABRG2GABRB3
SCHEMBL5562440 0.74 CDK8 (0.60) CDK8NEK1AXLGABRG2GABRB3
SCHEMBL410498 0.74 GABRG2 (0.54) CDK8NEK1AXLGABRG2GABRB3
SCHEMBL67941 0.74 CA12 (0.68) CDK8GABRG2GABRB3GABRA5GABRA3
SCHEMBL16656189 0.73 KMT2A (0.54) KMT2AFYNALDH1A1
SCHEMBL7719381 0.73 CA12 (0.59) CDK8GABRG2GABRB3GABRA5GABRA3
SCHEMBL30285148 0.73 CA12 (0.59) CDK8GABRG2GABRB3GABRA5GABRA3

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-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed
US-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed