SCHEMBL9713191

SCHEMBL9713191

CCCc1cc(NC(=O)c2c(C)cccc2C)on1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.48
F2R P25116 1/20 0.47
RPS6KA2 Q15349 1/20 0.44
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
TP53 P04637 2/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 3/20 0.40
MAPK1 P28482 2/20 0.40
THRB P10828 1/20 0.40
RORC P51449 1/20 0.40
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL9712816 0.84 CYP1A2 (0.55) MAPK14RAB9ANPC1TP53TSHR
SCHEMBL9893070 0.77 MAPK14 (0.47) MAPK14RPS6KA2RAB9ANPC1SMN1; SMN2
SCHEMBL10603709 0.77 MAPK14 (0.47) MAPK14F2RRAB9ANPC1TP53
SCHEMBL9712723 0.76 ALDH1A1 (0.57) MAPK14RPS6KA2RAB9ANPC1SMN1; SMN2
SCHEMBL9713323 0.75 CYP1A2 (0.54) MAPK14TP53TSHRSMN1; SMN2ALDH1A1
SCHEMBL11295782 0.75 RORC (0.52) RAB9ANPC1TP53TSHRSMN1; SMN2
SCHEMBL9891802 0.75 MAPK14 (0.48) MAPK14RPS6KA2RAB9ANPC1TSHR
SCHEMBL11738978 0.73 MAPK14 (0.44) MAPK14RPS6KA2RAB9ANPC1TSHR
SCHEMBL9892349 0.73 MAPK14 (0.44) MAPK14RPS6KA2RAB9ANPC1SMN1; SMN2
SCHEMBL9712883 0.73 CYP1A2 (0.57) RAB9ANPC1TP53TSHRSMN1; 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