SCHEMBL8912167

SCHEMBL8912167

CCOC(=O)c1c(-c2ccccc2)nc2nc(C)ccn12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.66
CYP1A2 P05177 3/20 0.66
CYP2C9 P11712 3/20 0.66
CYP2C19 P33261 3/20 0.66
RAB9A P51151 4/20 0.65
NPC1 O15118 3/20 0.65
MEN1 O00255 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
KMT2A Q03164 1/20 0.63
MAPK1 P28482 3/20 0.51
ALDH1A1 P00352 6/20 0.51
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
ATM Q13315 1/20 0.49
ADORA3 P0DMS8 3/20 0.48
NTRK1 P04629 1/20 0.47
HCRTR1 O43613 1/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL8912244 0.86 SMN1; SMN2 (0.61) SMN1; SMN2CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL9571758 0.81 NPC1 (0.46) SMN1; SMN2CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL26527665 0.80 MAPK1 (0.50) SMN1; SMN2CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL10675936 0.80 CYP1A2 (1.00) SMN1; SMN2CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL20579849 0.79 RAB9A (0.82) SMN1; SMN2CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL8910901 0.79 NPC1 (1.00) SMN1; SMN2CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL20579811 0.78 NPC1 (0.80) SMN1; SMN2CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL20579837 0.78 SMN1; SMN2 (0.74) SMN1; SMN2CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL20579809 0.78 CYP1A2 (0.78) SMN1; SMN2CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL20579803 0.77 RAB9A (0.79) SMN1; SMN2CYP1A2CYP2C9CYP2C19RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5635525-A DIAGNOSTICS HOECHST AKTIENGESELLSCHAFT (DE) 1997-06-03 US disclosed
US-5444068-A Imidazopyridine derivatives as angiotensin II receptor antagonists, pharmaceuticals, and treatment of hypertension therewith HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-22 US disclosed
US-5440046-A Angiotensin antagonist, hypotensive agent HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-08 US disclosed
US-5350751-A Hypotensive agents HOECHST AKTIENGESELLSCHAFT (DE) 1994-09-27 US disclosed