SCHEMBL4785651

SCHEMBL4785651

C(#Cc1ccc2nnc(-c3cccs3)n2n1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.51
LRRK2 Q5S007 11/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 2/20 0.43
ALOX15 P16050 1/20 0.43
CLK1 P49759 1/20 0.43
POLB P06746 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
BRD4 O60885 1/20 0.40
ADORA3 P0DMS8 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
Benzene SCHEMBL4785659 0.83 RXFP1 (0.54) RXFP1LRRK2HPGDHSD17B10KDM4E
SCHEMBL15526764 0.81 RXFP1 (0.55) RXFP1LRRK2HPGDHSD17B10KDM4E
SCHEMBL12912267 0.75 RXFP1 (0.64) RXFP1LRRK2HPGDHSD17B10KDM4E
SCHEMBL15526692 0.74 RXFP1 (0.59) RXFP1LRRK2HPGDHSD17B10KDM4E
SCHEMBL4784590 0.74 RXFP1 (0.59) RXFP1LRRK2HPGDHSD17B10KDM4E
SCHEMBL15526835 0.73 LRRK2 (0.57) RXFP1LRRK2HPGDHSD17B10KDM4E
SCHEMBL4783613 0.73 RXFP1 (0.52) RXFP1LRRK2HPGDHSD17B10KDM4E
SCHEMBL15526870 0.71 RXFP1 (0.60) RXFP1LRRK2HPGDHSD17B10KDM4E
SCHEMBL15526726 0.70 RXFP1 (0.59) RXFP1LRRK2HPGDHSD17B10KDM4E
SCHEMBL15526662 0.70 RXFP1 (0.74) RXFP1LRRK2HPGDHSD17B10KDM4E

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-2008069500-A1 TRIAZOLOPYRIDAZINE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST ACETYL-COA CARBOXYLASE AMOREPACIFIC CORPORATION (KR) 2008-06-12 WO disclosed