SCHEMBL9712817

SCHEMBL9712817

CCC(C)(CC)c1nnc(NC(=O)c2ccccc2)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.59
TP53 P04637 4/20 0.59
NPC1 O15118 8/20 0.59
RAB9A P51151 8/20 0.59
ALDH1A1 P00352 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
RXFP1 Q9HBX9 1/20 0.57
MAPT P10636 3/20 0.56
KDM4E B2RXH2 3/20 0.56
HTT P42858 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
ATM Q13315 1/20 0.56
SRC P12931 1/20 0.53
CASP3 P42574 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
GLS O94925 2/20 0.52
CSNK2A2 P19784 1/20 0.51
CSNK2A1 P68400 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
SCHEMBL9713318 0.89 NPC1 (0.70) SMN1; SMN2TP53NPC1RAB9AALDH1A1
SCHEMBL9713111 0.85 NPC1 (0.72) SMN1; SMN2TP53NPC1RAB9AALDH1A1
SCHEMBL9713316 0.82 MAPT (0.63) SMN1; SMN2TP53NPC1RAB9AALDH1A1
SCHEMBL9712603 0.82 MEN1 (0.54) SMN1; SMN2TP53NPC1RAB9AALDH1A1
SCHEMBL9713044 0.82 MEN1 (0.54) SMN1; SMN2TP53NPC1RAB9AALDH1A1
SCHEMBL9713091 0.81 MEN1 (0.53) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL9713679 0.80 NPC1 (0.65) SMN1; SMN2TP53NPC1RAB9AALDH1A1
SCHEMBL9713079 0.80 ALDH1A1 (0.52) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL9713494 0.79 ALDH1A1 (0.67) SMN1; SMN2TP53NPC1RAB9AALDH1A1
SCHEMBL9713276 0.79 MEN1 (0.51) SMN1; SMN2TP53NPC1RAB9AALDH1A1

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