SCHEMBL9694046

SCHEMBL9694046

Clc1ccc(-c2nc3ccncc3[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 1.00
KDM4E B2RXH2 5/20 1.00
HPGD P15428 5/20 1.00
NPC1 O15118 5/20 1.00
RAB9A P51151 4/20 1.00
SMN1; SMN2 Q16637 4/20 1.00
PKM P14618 3/20 1.00
AURKA O14965 1/20 0.66
HPSE Q9Y251 1/20 0.61
MEN1 O00255 3/20 0.56
MAPT P10636 3/20 0.56
KMT2A Q03164 3/20 0.56
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
TP53 P04637 2/20 0.56
HSD17B10 Q99714 2/20 0.56
APP P05067 1/20 0.56
GAA P10253 1/20 0.56
SNCA P37840 1/20 0.56

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
SCHEMBL7278387 0.87 ALDH1A1 (0.77) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL5590958 0.84 ALDH1A1 (0.72) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL6245632 0.83 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL21565901 0.83 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL16332640 0.83 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL16331618 0.83 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL7437914 0.83 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL30104576 0.83 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL5591256 0.83 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL3331253 0.83 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0255217-B1 FUSED IMIDAZOHETEROCYCLIC COMPOUNDS A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1992-01-22 EP disclosed
US-4948800-A MUSCLE RELAXANTS; ANTICONVULSANTS; ANXIOLYTIC AGENTS; 3-HYDROXYALKYL-PYRIDO(4,5-B OR-C)IMIDAZOLE COMPOUNDS A. H. ROBINS COMPANY, INCORPORATED (US) 1990-08-14 US disclosed
US-4914109-A ANTICONVULSANTS, ANTIANXIETY AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1990-04-03 US disclosed
US-4873251-A MUSCLE RELAXANTS, ANTICONVULSANTS, ANTIANXIETY AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1989-10-10 US disclosed
US-4824951-A MUSCLE RELAXANTS, ANTICONVULSANTS, ANXIOLYTIC AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1989-04-25 US disclosed
US-4772600-A MUSCLE RELAXANTS, ANTICONVULSANTS, ANXIOLYTIC A. H. ROBINS COMPANY, INC. (US) 1988-09-20 US disclosed
EP-0255217-A1 Fused imidazoheterocyclic compounds A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1988-02-03 EP disclosed