SCHEMBL9692127

SCHEMBL9692127

CCOC(=O)CNc1ncccc1NC(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
F2 P00734 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
BRAF P15056 7/20 0.50
TRPV1 Q8NER1 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
CSF1R P07333 2/20 0.48
PTGS1 P23219 1/20 0.48
LCK P06239 1/20 0.47
BTK Q06187 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KDR P35968 1/20 0.47
TEK Q02763 1/20 0.47
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL9694426 0.90 L3MBTL1 (0.50) TRPV1L3MBTL1PTGS1HTTRAB9A
SCHEMBL9694154 0.87 SMN1; SMN2 (0.57) CYP1A2CYP2C19ALDH1A1HTTRAB9A
SCHEMBL9692044 0.85 KMT2A (0.55) L3MBTL1ALDH1A1MEN1HTTRAB9A
SCHEMBL9693812 0.84 HTT (0.60) GAAL3MBTL1ALDH1A1KDRTSHR
SCHEMBL9692090 0.81 LMNA (0.55) CYP1A2CYP2C19L3MBTL1ALDH1A1TSHR
SCHEMBL9694086 0.81 RAB9A (0.52) GAACYP1A2L3MBTL1ALDH1A1NPSR1
SCHEMBL9694270 0.79 TDP1 (0.51) TRPV1L3MBTL1ALDH1A1TSHRNPSR1
SCHEMBL9694296 0.79 NPC1 (0.55) GAATRPV1L3MBTL1KDRTSHR
SCHEMBL9692206 0.79 F10 (0.55) F2CYP1A2ALDH1A1NPSR1MEN1
SCHEMBL9692226 0.78 RAB9A (0.51) GAAALDH1A1MEN1HTTRAB9A

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