SCHEMBL7957435

SCHEMBL7957435

COc1cc(N)c(Cl)cc1-c1nn(-c2ccccc2)c(=O)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
ATM Q13315 1/20 0.49
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPK1 P28482 2/20 0.48
ESR2 Q92731 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MGLL Q99685 2/20 0.42
GAA P10253 1/20 0.41
FAAH O00519 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
PAX8 Q06710 1/20 0.39
ADORA3 P0DMS8 2/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL7952848 0.88 LMNA (0.40) LMNAATMMAPTMEN1KMT2A
SCHEMBL5753908 0.83 LMNA (0.42) LMNAATMMAPTMEN1KMT2A
SCHEMBL6560817 0.79 HSD17B10 (0.57) LMNAATMMAPTMEN1KMT2A
SCHEMBL8309535 0.73 DRD4 (0.44) HTR4CYP1A2CYP3A4CYP2C9
SCHEMBL8305104 0.72 HTR4 (0.44) GAASMN1; SMN2HTR4
SCHEMBL8304880 0.72 HTR4 (0.44) NPC1HTR4
Hydrochloric Acid SCHEMBL8368070 0.71 HTR4 (0.43) MAPK1HTR4
SCHEMBL7804908 0.71 HTR4 (0.48) NPC1HTR4
Bromide SCHEMBL8366387 0.71 HTR4 (0.43) NPC1HTR4
SCHEMBL5804359 0.71 RPA1 (0.38) LMNAMAPTKMT2AGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6271249-B1 Diphenyl imidazoles as potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY 2001-08-07 US disclosed
US-6077861-A MODULATORS OF THE LARGE-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM (BK) CHANNELS, THEREFORE, USEFUL IN THE TREATMENT OF ISCHEMIC STROKE BRISTOL-MYERS SQUIBB COMPANY (US) 2000-06-20 US disclosed
US-5869509-A TREAT DISORDERS RESPONSIVE TO OPENERS OF THE LARGE CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-02-09 US disclosed