SCHEMBL8101672

SCHEMBL8101672

Cc1cccc(-c2cc(=O)n3ccc(C)cc3n2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.65
ALDH1A1 P00352 5/20 0.65
RAB9A P51151 8/20 0.52
NPC1 O15118 7/20 0.52
MEN1 O00255 1/20 0.52
CASP3 P42574 1/20 0.52
KMT2A Q03164 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
XDH P47989 1/20 0.47
PKM P14618 2/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CGAS Q8N884 1/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
RAD51 Q06609 1/20 0.43
PARP1 P09874 1/20 0.42
PSD A5PKW4 1/20 0.42

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
SCHEMBL1661610 0.90 KDM4E (0.62) KDM4EALDH1A1RAB9ANPC1MEN1
SCHEMBL8102024 0.89 ALDH1A1 (0.55) KDM4EALDH1A1RAB9ANPC1MEN1
SCHEMBL8105559 0.87 RAB9A (0.54) KDM4EALDH1A1RAB9ANPC1MEN1
SCHEMBL16375038 0.87 KDM4E (0.49) KDM4EALDH1A1RAB9ANPC1MEN1
SCHEMBL8105784 0.87 KDM4E (0.52) KDM4EALDH1A1RAB9ANPC1MEN1
SCHEMBL8100199 0.85 KDM4E (0.64) KDM4EALDH1A1RAB9ANPC1MEN1
SCHEMBL8108176 0.85 KDM4E (0.56) KDM4EALDH1A1RAB9ANPC1MEN1
SCHEMBL8100226 0.81 KDM4E (0.59) KDM4EALDH1A1RAB9ANPC1MAPT
SCHEMBL8099803 0.81 NPC1 (0.51) KDM4EALDH1A1RAB9ANPC1MEN1
SCHEMBL7925160 0.81 KDM4E (0.59) KDM4EALDH1A1RAB9ANPC1MAPT

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