SCHEMBL8100199

SCHEMBL8100199

Cc1ccc(-c2cc(=O)n3ccc(C)cc3n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.64
ALDH1A1 P00352 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.56
TP53 P04637 2/20 0.56
RAD51 Q06609 5/20 0.55
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP2C19 P33261 1/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
HPGD P15428 2/20 0.47
POLB P06746 2/20 0.44
GAA P10253 2/20 0.44
ALOX5 P09917 1/20 0.44
PKM P14618 2/20 0.43
USP7 Q93009 1/20 0.43

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
SCHEMBL7925160 0.90 KDM4E (0.59) KDM4EALDH1A1SMN1; SMN2TP53RAD51
SCHEMBL8100226 0.90 KDM4E (0.59) KDM4EALDH1A1SMN1; SMN2TP53RAD51
SCHEMBL1661610 0.89 KDM4E (0.62) KDM4EALDH1A1SMN1; SMN2TP53RAD51
SCHEMBL8101681 0.87 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL1660011 0.87 RAD51 (0.51) KDM4EALDH1A1SMN1; SMN2TP53RAD51
SCHEMBL8101672 0.85 KDM4E (0.65) KDM4EALDH1A1SMN1; SMN2RAD51LMNA
SCHEMBL1658662 0.84 RAD51 (0.49) KDM4EALDH1A1SMN1; SMN2TP53RAD51
SCHEMBL8108176 0.84 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2TP53RAD51
SCHEMBL1660062 0.81 RAD51 (0.48) KDM4EALDH1A1SMN1; SMN2TP53RAD51
SCHEMBL8102024 0.80 ALDH1A1 (0.55) KDM4EALDH1A1SMN1; SMN2LMNAMAPT

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-6071930-A FOR INHIBITION OF MITOSIS OR TUMOR GROWTH THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2000-06-06 US disclosed
US-5994367-A PREVENT CELL MITOSIS; ANTICARCINOGENIC AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1999-11-30 US disclosed