SCHEMBL9788259

SCHEMBL9788259

O=C(O)c1c(Cc2ccccc2)n(-c2c(Cl)cc(Cl)cc2Cl)ncc1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 3/20 0.41
CDK4 P11802 3/20 0.41
CCND1 P24385 3/20 0.41
CCNE1 P24864 3/20 0.41
CDK2 P24941 3/20 0.41
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
MAPK1 P28482 1/20 0.40
SRC P12931 1/20 0.39
KDR P35968 1/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK14 Q16539 4/20 0.36
LMNA P02545 2/20 0.35
PKM P14618 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
SCHEMBL9788337 0.81 NR4A3 (0.50) MAPK1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL10357432 0.80 CCNE2 (0.42) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL9788312 0.80 RAB9A (0.40) MEN1KMT2ANPSR1LMNAPOLB
SCHEMBL10812124 0.79 SRC (0.44) CDK4CCND1MAPK1SRCKDR
SCHEMBL9788299 0.76 MAPK14 (0.46) MAPK1MEN1KMT2ASMN1; SMN2MAPK14
SCHEMBL9788296 0.69 NR4A3 (0.46) SRCKDRMEN1KMT2AHPGD
SCHEMBL9005822 0.68 NR4A3 (0.51) KMT2ASMN1; SMN2LMNAPKM
SCHEMBL9788273 0.66 NR4A3 (0.67) MAPK1MEN1KMT2ANPSR1HPGD
SCHEMBL122191 0.66 NR4A3 (0.51) MAPK1MEN1KMT2ANPSR1HPGD
SCHEMBL9005800 0.64 MAPT (0.51) MAPK1MEN1KMT2ANPSR1HPGD

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-5062880-A Male plant sterility MONSANTO COMPANY (US) 1991-11-05 US disclosed
US-4732603-A ANTIFERTILITY AGENTS ROHM AND HAAS COMPANY (US) 1988-03-22 US disclosed