SCHEMBL8105784

SCHEMBL8105784

COc1cccc(-c2cc(=O)n3ccc(C)cc3n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A3 P47895 2/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
PKM P14618 1/20 0.45
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
BACE1 P56817 1/20 0.42
BRD4 O60885 1/20 0.42
ADORA3 P0DMS8 2/20 0.42
ADORA2B P29275 2/20 0.42
ADORA1 P30542 2/20 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
SCHEMBL21902775 0.91 MEN1 (0.55) ALDH1A1MEN1KMT2AALDH1A3MAPT
SCHEMBL16375038 0.90 KDM4E (0.49) KDM4EALDH1A1MEN1KMT2AALDH1A3
SCHEMBL8101672 0.87 KDM4E (0.65) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL8101681 0.86 KDM4E (0.61) KDM4EALDH1A1MEN1KMT2AALDH1A3
SCHEMBL7925220 0.85 MEN1 (0.57) KDM4EALDH1A1MEN1KMT2AALDH1A3
SCHEMBL16213620 0.83 KDM4E (0.50) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL1661610 0.83 KDM4E (0.62) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL8099894 0.82 MEN1 (0.52) KDM4EALDH1A1MEN1KMT2AALDH1A3
SCHEMBL8102024 0.82 ALDH1A1 (0.55) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL1660020 0.82 MEN1 (0.56) KDM4EALDH1A1MEN1KMT2ANPC1

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