SCHEMBL8987871

SCHEMBL8987871

CCc1nccc(NC(=O)Cc2cccc3ccccc23)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 2/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GSK3B P49841 1/20 0.50
CDK5 Q00535 1/20 0.50
CDK5R1 Q15078 1/20 0.50
MAPK10 P53779 4/20 0.49
MAPK8 P45983 3/20 0.49
MAPK9 P45984 3/20 0.49
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
CCNA1 P78396 1/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
PTGER4 P35408 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48

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
SCHEMBL8987884 0.78 RIOK2 (0.72) MEN1KMT2ACDK5CDK5R1MAPK10
SCHEMBL29409209 0.76 POLB (0.56) ALDH1A1KDM4EMEN1KMT2AGSK3B
SCHEMBL14520097 0.74 MEN1 (0.66) ALDH1A1KDM4EMEN1KMT2AMAPK10
SCHEMBL28692610 0.72 ALDH1A1 (0.62) ALDH1A1KDM4EMEN1KMT2AMAPK10
SCHEMBL10082886 0.72 SMN1; SMN2 (0.60) ALDH1A1KDM4EMAPK8MAPK9LMNA
SCHEMBL3424958 0.72 CCNA2 (0.62) ALDH1A1KDM4EMEN1KMT2AGSK3B
SCHEMBL10082487 0.72 TYK2 (0.41) ALDH1A1KDM4EMEN1KMT2AMAPK8
SCHEMBL8987776 0.72 CACNA1H (0.48) MEN1KMT2ASMN1; SMN2
SCHEMBL8987914 0.72 CACNA1H (0.48) KMT2AMAPK10MAPK8SMN1; SMN2
SCHEMBL1947868 0.71 ALDH1A1 (0.68) ALDH1A1KDM4EMEN1KMT2AMAPK10

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-5556859-A N-(4-pyrimidinyl)amide pesticides DOWELANCO (US) 1996-09-17 US disclosed