SCHEMBL7921784

SCHEMBL7921784

Cc1cccc(-c2cc(=O)c3c(C)cc(C)nc3[nH]2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50

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
SCHEMBL7925116 0.87 ALDH1A1 (0.50) ALDH1A1LMNAGAAKMT2ASMN1; SMN2
SCHEMBL31237182 0.87 ALDH1A1 (0.50) ALDH1A1LMNAGAAKMT2ASMN1; SMN2
SCHEMBL7921847 0.87 KMT2A (0.49) ALDH1A1LMNAGAAKMT2ASMN1; SMN2
SCHEMBL7920099 0.85
SCHEMBL7925155 0.85 ALDH1A1 (0.51) ALDH1A1LMNAGAAKMT2ASMN1; SMN2
SCHEMBL8107995 0.83 ALDH1A1 (0.50) ALDH1A1LMNAGAAKMT2ASMN1; SMN2
SCHEMBL7920133 0.81
SCHEMBL7920177 0.80 ALDH1A1 (0.52) ALDH1A1LMNAGAAKMT2ASMN1; SMN2
SCHEMBL7920474 0.80 ADORA2A (0.65) ALDH1A1LMNAGAAKMT2ASMN1; SMN2
SCHEMBL7920165 0.80 ADORA2A (0.77) ADORA2AADORA1

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