SCHEMBL8105559

SCHEMBL8105559

Cc1cccc(-c2cc(=O)n3ccccc3n2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 2/20 0.48
XDH P47989 1/20 0.46
RAD51 Q06609 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
GAA P10253 2/20 0.44
TSHR P16473 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
PRKDC P78527 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
SCHEMBL8101672 0.87 KDM4E (0.65) RAB9ANPC1KMT2AMEN1CASP3
SCHEMBL1659994 0.85 KDM4E (0.52) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL28958139 0.83 KDM5B (0.50) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL8099803 0.83 NPC1 (0.51) RAB9ANPC1KMT2AMEN1CASP3
SCHEMBL31365868 0.83 KDM5B (0.50) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL8100175 0.83 GRM5 (0.55) RAB9ANPC1KMT2AMEN1CASP3
SCHEMBL7925220 0.82 MEN1 (0.57) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL16375038 0.80 KDM4E (0.49) RAB9ANPC1KMT2AMEN1CASP3
SCHEMBL8099804 0.79 RAB9A (0.49) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL1661610 0.79 KDM4E (0.62) RAB9ANPC1KMT2AMEN1CASP3

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