SCHEMBL9713599

SCHEMBL9713599

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 1.00
TP53 P04637 2/20 0.70
NPC1 O15118 8/20 0.66
RAB9A P51151 8/20 0.66
SMN1; SMN2 Q16637 5/20 0.66
KDM4E B2RXH2 5/20 0.65
HSD17B10 Q99714 1/20 0.65
G6PD P11413 1/20 0.65
MAPT P10636 2/20 0.61
PPARG P37231 1/20 0.61
NCOA2 Q15596 1/20 0.61
NCOA1 Q15788 1/20 0.61
ABL1 P00519 1/20 0.60
RIN1 Q13671 1/20 0.60
USP2 O75604 1/20 0.60
ALOX15 P16050 1/20 0.57
POLB P06746 1/20 0.57
LMNA P02545 2/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55

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
SCHEMBL9712862 0.90 ALDH1A1 (0.81) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL9712738 0.88 ALDH1A1 (0.78) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL9713177 0.86 ALDH1A1 (0.74) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL9712712 0.86 ALDH1A1 (0.74) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL11105323 0.85 ALDH1A1 (0.73) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL11096163 0.83 ALDH1A1 (0.70) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL9713159 0.82 TP53 (1.00) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL11242366 0.82 ALDH1A1 (0.69) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL9712936 0.81 ALDH1A1 (0.67) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL11257467 0.81 ALDH1A1 (0.67) ALDH1A1TP53NPC1RAB9ASMN1; SMN2

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