SCHEMBL9713111

SCHEMBL9713111

CCC(C)(CC)c1nnc(NC(=O)c2ccc(OC)cc2)s1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.72
RAB9A P51151 8/20 0.72
SMN1; SMN2 Q16637 6/20 0.72
TP53 P04637 2/20 0.72
HTT P42858 2/20 0.72
RXFP1 Q9HBX9 4/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
GLS O94925 1/20 0.58
CSNK2A2 P19784 1/20 0.57
CSNK2A1 P68400 1/20 0.57
MAPT P10636 2/20 0.55
HPGD P15428 2/20 0.55
ALDH1A1 P00352 2/20 0.55
XBP1 P17861 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
NPSR1 Q6W5P4 1/20 0.52
ABL1 P00519 2/20 0.52
SRC P12931 2/20 0.52
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL9712748 0.91 NPC1 (0.64) NPC1RAB9ASMN1; SMN2TP53HTT
SCHEMBL9712817 0.85 SMN1; SMN2 (0.59) NPC1RAB9ASMN1; SMN2TP53HTT
SCHEMBL9713450 0.81 ALDH1A1 (0.50) NPC1RAB9ASMN1; SMN2TP53HTT
SCHEMBL9713494 0.80 ALDH1A1 (0.67) NPC1RAB9ASMN1; SMN2TP53HTT
SCHEMBL9713679 0.79 NPC1 (0.65) NPC1RAB9ASMN1; SMN2TP53RXFP1
SCHEMBL9712884 0.78 RAB9A (0.47) NPC1RAB9ASMN1; SMN2TP53HTT
SCHEMBL9713074 0.77 TAS1R3 (0.48) NPC1RAB9ASMN1; SMN2TP53HTT
SCHEMBL16383901 0.76 SMN1; SMN2 (1.00) NPC1RAB9ASMN1; SMN2TP53HTT
SCHEMBL9712603 0.75 MEN1 (0.54) NPC1RAB9ASMN1; SMN2TP53HTT
SCHEMBL9713044 0.75 MEN1 (0.54) NPC1RAB9ASMN1; SMN2TP53HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5086184-A Herbicides DOWELANCO (US) 1992-02-04 US disclosed
US-4943634-A HERBICIDES ELI LILLY AND COMPANY (US) 1990-07-24 US disclosed
US-4801718-A HERBICIDES ELI LILLY AND COMPANY (US) 1989-01-31 US disclosed
US-4636243-A HERBICIDES ISOXAZOLES ELI LILLY AND COMPANY (US) 1987-01-13 US disclosed
US-4515625-A HERBICIDES ELI LILLY AND COMPANY (US) 1985-05-07 US disclosed
EP-0049071-B1 N-ARYLBENZAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1984-12-19 EP disclosed
US-4416683-A HERBICIDES ELI LILLY AND COMPANY (US) 1983-11-22 US disclosed
EP-0049071-A1 N-arylbenzamide derivatives ELI LILLY AND COMPANY (US) 1982-04-07 EP disclosed