SCHEMBL4565102

SCHEMBL4565102

O=CN1CCCC(c2ccccc2)C1c1cnc2[nH]c(Nc3ccccc3)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.38
TAAR1 Q96RJ0 2/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ERN1 O75460 4/20 0.33
RIPK1 Q13546 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
NRP1 O14786 1/20 0.31
MARK3 P27448 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
SCHEMBL985990 0.67 MEN1 (0.50) TAAR1GAASMN1; SMN2RIPK1KDM4E
SCHEMBL4565107 0.64 EGFR (0.38) MARK3
SCHEMBL987289 0.62 RIPK1 (0.63) GAASMN1; SMN2RIPK1KDM4EMEN1
SCHEMBL3026523 0.62 MEN1 (0.45) TAAR1GAASMN1; SMN2RIPK1KDM4E
SCHEMBL13330544 0.58 CHRNB2 (0.55) RIPK1MEN1MAPTKMT2A
SCHEMBL8846952 0.57 CHRNB2 (0.49) SMN1; SMN2RIPK1MEN1KMT2A
SCHEMBL8846954 0.57 CHRNB2 (0.49) SMN1; SMN2RIPK1MEN1KMT2A
SCHEMBL4019471 0.57 CHRNB2 (0.49) SMN1; SMN2RIPK1MEN1KMT2A
SCHEMBL15944993 0.57 LPAR2 (0.60) GAASMN1; SMN2
SCHEMBL15947349 0.57 LPAR2 (0.60) GAASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009116074-A2 SUBSTITUTED BENZIMIDAZOLES AS CANNABINOID MODULATOR CADILA HEALTHCARE LIMITED (IN) 2009-09-24 WO disclosed