SCHEMBL8734773

SCHEMBL8734773

C1=CC2=CC=CC(Cc3ccncc3)C2=C1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.31

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
SCHEMBL5881053 0.65 CYP19A1 (0.35) CYP19A1
Hydrochloric Acid SCHEMBL11233156 0.59 HTR6 (0.64) CYP19A1LOXL2
SCHEMBL29216402 0.59
SCHEMBL1000330 0.56 CYP19A1 (0.61) CYP19A1LOXL2
SCHEMBL22182420 0.55 MAPT (0.36)
SCHEMBL27560641 0.55 CYP19A1 (0.44) CYP19A1LOXL2
SCHEMBL28746784 0.54
SCHEMBL27650048 0.54 CYP19A1 (0.52) CYP19A1LOXL2
Isonicotinic Acid SCHEMBL28796759 0.54 NAPRT (0.68)
SCHEMBL3169999 0.54

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
CN-1295072-A New polycyclic system compound as neurotransmitter release reinforcer in treatment of identification fault and derivatives thereof DU PONT PHARM CO (US) 2001-05-16 CN claimed
CN-1295072-A New polycyclic system compound as neurotransmitter release reinforcer in treatment of identification fault and derivatives thereof DU PONT PHARM CO (US) 2001-05-16 CN disclosed
US-5750528-A Blockade of neuronal m-channels as a therapeutic approach to the treatment of neurological disease THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-05-12 US disclosed