SCHEMBL7913610

SCHEMBL7913610

COc1ccc(-c2cc(=O)c3c(C)cc(C)nc3[nH]2)cc1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 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
SCHEMBL7925155 0.86 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2LMNA
SCHEMBL7920099 0.86
SCHEMBL7920177 0.84 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNA
SCHEMBL7920474 0.84 ADORA2A (0.65) ALDH1A1SMN1; SMN2LMNA
SCHEMBL7920143 0.82 CCNB2 (0.57) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL8107995 0.82 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNA
SCHEMBL7922302 0.80 ADORA2A (0.71) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL7921784 0.77 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2LMNA
SCHEMBL7913607 0.77 LOX (0.49) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL31237182 0.75 ALDH1A1 (0.50) KDM4EALDH1A1HPGDSMN1; SMN2LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6229016-B1 PYRIDOPYRIMIDINE DERIVATIVES AS CHEMICAL INTERMEDIATES; POLYMERIZATION INHIBITION OF TUBULIN THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2001-05-08 US disclosed
US-6071930-A FOR INHIBITION OF MITOSIS OR TUMOR GROWTH THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2000-06-06 US disclosed
EP-0971921-A1 2-ARYL-NAPHTHYRIDIN-4-ONES AS ANTITUMOR AGENTS The University of North Carolina at Chapel Hill (US) 2000-01-19 EP disclosed
US-5994367-A PREVENT CELL MITOSIS; ANTICARCINOGENIC AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1999-11-30 US disclosed
WO-1998039332-A1 2-ARYL-NAPHTHYRIDIN-4-ONES AS ANTITUMOR AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1998-09-11 WO disclosed