SCHEMBL13985497

SCHEMBL13985497

Cc1cc(=O)n(-c2ccc(Cl)cc2)c([C@H]2CC[C@@H](C)C2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
POLB P06746 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
PTPN11 Q06124 1/20 0.37
CRHR1 P34998 2/20 0.36
DRD1 P21728 2/20 0.36
DRD5 P21918 2/20 0.36
CNR1 P21554 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GRM1 Q13255 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
MAT2A P31153 1/20 0.35

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
SCHEMBL4755166 0.81 AVPR1A (0.39) SMN1; SMN2POLBALDH1A1KMT2ACRHR1
SCHEMBL4755169 0.81 AVPR1A (0.39) SMN1; SMN2POLBALDH1A1KMT2ACRHR1
SCHEMBL4753367 0.81 SMN1; SMN2 (0.40) SMN1; SMN2POLBALDH1A1KMT2APTPN11
SCHEMBL13985522 0.81 CRHR1 (0.41) SMN1; SMN2POLBALDH1A1KMT2APTPN11
SCHEMBL4756481 0.81 CRHR1 (0.41) SMN1; SMN2POLBALDH1A1KMT2APTPN11
SCHEMBL4753362 0.81 SMN1; SMN2 (0.40) SMN1; SMN2POLBALDH1A1KMT2APTPN11
SCHEMBL4753507 0.74 SMN1; SMN2 (0.38) SMN1; SMN2POLBALDH1A1KMT2APTPN11
SCHEMBL13985524 0.72 MEN1 (0.40) SMN1; SMN2POLBALDH1A1KMT2AKDM4E
SCHEMBL4753319 0.72 MEN1 (0.40) SMN1; SMN2POLBALDH1A1KMT2AKDM4E
SCHEMBL4755592 0.71 DRD1 (0.37) SMN1; SMN2ALDH1A1KMT2ADRD1DRD5

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-2008156607-A1 SUBSTITUTED PYRIMIDINONES NEUROGEN CORPORATION (US) 2008-12-24 WO disclosed