SCHEMBL13625620

SCHEMBL13625620

COC(=O)Nc1cc2c3c(c1)C(C)(c1ccc(F)cc1)CCN3CCC2(C)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
S1PR2 O95136 6/20 0.38
TSHR P16473 1/20 0.38
OPRM1 P35372 2/20 0.36
OPRD1 P41143 1/20 0.35
FSHR P23945 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 1/20 0.34
PTPN11 Q06124 1/20 0.34

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
SCHEMBL2388490 1.00 LMNA (0.42) LMNASMN1; SMN2MEN1KMT2AALOX15
SCHEMBL8989907 0.96 LMNA (0.39) LMNASMN1; SMN2MEN1KMT2AALOX15
SCHEMBL8988339 0.96 LMNA (0.39) LMNASMN1; SMN2MEN1KMT2AALOX15
SCHEMBL11973314 0.88 S1PR2 (0.37) LMNASMN1; SMN2MEN1KMT2AHTT
SCHEMBL11973796 0.88 TP53 (0.38) SMN1; SMN2HTTS1PR2TSHROPRM1
SCHEMBL8988202 0.88 FSHR (0.44) SMN1; SMN2MEN1KMT2ATSHRFSHR
SCHEMBL2389637 0.88 FSHR (0.44) SMN1; SMN2MEN1KMT2ATSHRFSHR
SCHEMBL2392497 0.88 FSHR (0.44) SMN1; SMN2MEN1KMT2ATSHRFSHR
SCHEMBL14899278 0.86 LMNA (0.35) LMNASMN1; SMN2MEN1KMT2AALOX15
SCHEMBL14899279 0.86 HIF1A (0.39) MEN1KMT2AHSD17B10S1PR2TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431702-B2 Therapeutically useful substituted hydropyrido [3,2,1-ij] quinoline compounds ALLERGAN, INC. (US) 2013-04-30 US disclosed
WO-2009137681-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-IJ] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2009-11-12 WO disclosed