SCHEMBL4703182

SCHEMBL4703182

C1=CNC(c2cccnc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 8/20 0.56
CHRNA4 P43681 8/20 0.56
CHRNA7 P36544 6/20 0.51
CYP2A6 P11509 3/20 0.50
MEN1 O00255 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP11B2 P19099 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
Hydrochloric Acid SCHEMBL1566699 0.98 CHRNB2 (0.54) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
SCHEMBL28679160 0.82 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
SCHEMBL29364912 0.82 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
SCHEMBL3704857 0.80 DDB1 (0.35) CHRNB2CHRNA4CYP2C19CYP1A2CYP11B2
SCHEMBL3389548 0.80 SLC18A3 (0.38) MEN1KMT2ASMN1; SMN2
SCHEMBL17768276 0.78 CHRNB2 (0.71) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
SCHEMBL159642 0.72 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
SCHEMBL27467551 0.71
SCHEMBL6984665 0.71
SCHEMBL29557776 0.70 CYP11B2 (0.58) CHRNB2CHRNA4CHRNA7CYP2A6MEN1

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
EP-1963332-A1 1 H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZOISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2008-09-03 EP disclosed
WO-2007056582-A1 1 H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZOISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2007-05-18 WO disclosed
EP-1742944-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2007-01-17 EP disclosed
WO-2006001894-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICAL CORPORATION (US) 2006-01-05 WO disclosed