SCHEMBL9713159

SCHEMBL9713159

COc1cccc(OC)c1C(=O)Nc1nnc(C)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 1.00
NPC1 O15118 2/20 0.73
RAB9A P51151 2/20 0.73
ALDH1A1 P00352 6/20 0.70
KDM4E B2RXH2 3/20 0.70
HSD17B10 Q99714 1/20 0.70
MAPT P10636 1/20 0.65
PPARG P37231 1/20 0.65
NCOA2 Q15596 1/20 0.65
NCOA1 Q15788 1/20 0.65
ABL1 P00519 1/20 0.64
RIN1 Q13671 1/20 0.64
SMN1; SMN2 Q16637 6/20 0.61
MEN1 O00255 1/20 0.54
GAA P10253 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
KMT2A Q03164 1/20 0.54
POLB P06746 1/20 0.54

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
SCHEMBL11401348 0.83 TP53 (0.70) TP53NPC1RAB9AALDH1A1KDM4E
SCHEMBL11402768 0.83 ALDH1A1 (0.72) TP53NPC1RAB9AALDH1A1KDM4E
SCHEMBL9713599 0.82 ALDH1A1 (1.00) TP53NPC1RAB9AALDH1A1KDM4E
SCHEMBL9713321 0.82 TP53 (0.70) TP53NPC1RAB9AALDH1A1KDM4E
SCHEMBL11392338 0.82 NPC1 (0.77) TP53NPC1RAB9AALDH1A1KDM4E
SCHEMBL9713167 0.81 ALDH1A1 (0.80) TP53NPC1RAB9AALDH1A1KDM4E
SCHEMBL9712927 0.80 TP53 (0.67) TP53NPC1RAB9AALDH1A1KDM4E
SCHEMBL11396617 0.80 NPC1 (0.76) TP53NPC1RAB9AALDH1A1KDM4E
SCHEMBL9713274 0.80 TP53 (0.67) TP53NPC1RAB9AALDH1A1KDM4E
SCHEMBL11392582 0.80 TP53 (0.67) TP53NPC1RAB9AALDH1A1KDM4E

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