SCHEMBL9770755

SCHEMBL9770755

N#CC(N)(N)c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.43
CYP3A5 P20815 1/20 0.43
CYP19A1 P11511 5/20 0.42
POLB P06746 1/20 0.42
KCNA5 P22460 2/20 0.41
CYP11B2 P19099 2/20 0.39
CYP1A2 P05177 2/20 0.39
LMNA P02545 1/20 0.39
CYP11B1 P15538 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP2A6 P11509 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL21457779 0.81 CYP19A1 (0.47) CYP3A4CYP3A5CYP19A1POLBKCNA5
SCHEMBL7614593 0.81 CYP3A4 (0.48) CYP3A4CYP3A5CYP19A1POLBKCNA5
SCHEMBL30431325 0.81 CYP19A1 (0.47) CYP3A4CYP3A5CYP19A1POLBKCNA5
SCHEMBL24608491 0.76 CYP19A1 (0.50) CYP3A4CYP3A5CYP19A1CYP11B2CYP1A2
SCHEMBL11147179 0.76 KCNA5 (0.47) CYP3A4CYP3A5CYP19A1KCNA5CYP11B2
SCHEMBL30589181 0.76 CYP19A1 (0.50) CYP3A4CYP3A5CYP19A1CYP11B2CYP1A2
SCHEMBL22714972 0.73 CYP19A1 (0.43) CYP3A4CYP3A5CYP19A1KCNA5CYP11B2
SCHEMBL29503990 0.73 CYP19A1 (0.43) CYP3A4CYP3A5CYP19A1KCNA5CYP11B2
SCHEMBL3235238 0.72 CYP19A1 (0.55) CYP3A4CYP19A1KCNA5CYP11B2CYP1A2
SCHEMBL4196221 0.72 CYP19A1 (0.55) CYP3A4CYP19A1KCNA5CYP11B2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5043345-A Cognition activators; alzheimer's disease NOVO NORDISK A/S (DK) 1991-08-27 US disclosed