SCHEMBL7922300

SCHEMBL7922300

COc1ccc(-c2cc(=O)c3cc(C)cnc3[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.62
ALDH1A1 P00352 4/20 0.62
HPGD P15428 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
LMNA P02545 2/20 0.55

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
SCHEMBL7921785 0.88 HPGD (0.59) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL7921845 0.86
SCHEMBL7913591 0.84 MEN1 (0.53) NPC1RAB9A
SCHEMBL7922283 0.84 ADORA2A (0.61) KDM4ESMN1; SMN2
SCHEMBL16213598 0.83 ADORA2A (0.62) KDM4EHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL7913586 0.81
SCHEMBL7913613 0.80 ADORA2A (0.70) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL30472919 0.80 ADORA2A (0.70) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL7921815 0.78
SCHEMBL7925184 0.78 KIT (0.46)

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