SCHEMBL6683074

SCHEMBL6683074

Clc1nc(C(Cl)(Cl)Cl)nc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 2/20 0.56
CCNE2 O96020 2/20 0.56
CDK1 P06493 2/20 0.56
CDK4 P11802 2/20 0.56
CCNB1 P14635 2/20 0.56
CCND1 P24385 2/20 0.56
CCNE1 P24864 2/20 0.56
CDK2 P24941 2/20 0.56
CCNB3 Q8WWL7 2/20 0.56
CCNA2 P20248 1/20 0.56
CCNA1 P78396 1/20 0.56
MAOA P21397 2/20 0.48
MAOB P27338 1/20 0.48
METAP1 P53582 1/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44

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
SCHEMBL12070723 0.82 MAOA (0.47) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL29416441 0.82 GAA (0.57) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL3119156 0.82 GAA (0.57) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL9385804 0.79 CCNE2 (0.56) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL11803331 0.77 MAOA (0.41) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7438098 0.74 CDK9 (0.36) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL29389300 0.74 MAOA (0.56) MAOAMAOBMETAP1KMT2APDE4A
SCHEMBL92707 0.74 MAOA (0.56) MAOAMAOBMETAP1KMT2APDE4A
SCHEMBL164157 0.73 CCNE2 (0.41) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL20319870 0.72 MAOA (0.54) MAOAMAOBMETAP1KMT2AMEN1

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
WO-2004066959-A2 ORGANIC-ARSONIC COMPOUNDS PARKER HUGHES INSTITUTE (US) 2004-08-12 WO disclosed
US-6686344-B1 TREATING CANCER, TUMORS PAKER HUGHES INSTITUTE 2004-02-03 US disclosed