SCHEMBL7973371

SCHEMBL7973371

CC(=O)N1CCCc2c(N)cccc21

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 13/20 0.60
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HSD17B3 P37058 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL29862964 0.90 NOTUM (0.69) NOTUMCYP2D6CYP2C9POLB
SCHEMBL5803030 0.90 NOTUM (0.69) NOTUMCYP2D6CYP2C9POLB
SCHEMBL22312090 0.84 NOTUM (0.84) NOTUMTSHR
SCHEMBL15966371 0.83 NOTUM (0.62) NOTUMSMN1; SMN2MEN1TSHRKMT2A
SCHEMBL24011117 0.81 NOTUM (0.82) NOTUM
SCHEMBL22312089 0.79 NOTUM (0.63) NOTUMSMN1; SMN2MEN1TSHRKMT2A
SCHEMBL5366776 0.77 NOTUM (0.55) NOTUMCYP2D6CYP2C9
SCHEMBL2619231 0.76 NOTUM (1.00) NOTUMTSHRCYP2D6CYP2C9POLB
SCHEMBL29216428 0.75 NOTUM (0.58) NOTUMSMN1; SMN2MEN1TSHRKMT2A
SCHEMBL6402604 0.75 TNKS (0.43) MEN1KMT2ACYP2D6

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
WO-2001007412-A1 ANTIVIRAL TETRAHYDROISICHINOLINSULFONAMIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-02-01 WO disclosed