SCHEMBL9712915

SCHEMBL9712915

COc1cccc(OC)c1C(=O)Nc1cc(C)no1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2C19 P33261 1/20 0.65
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
GLA P06280 1/20 0.54
RAB9A P51151 3/20 0.53
TP53 P04637 2/20 0.53
MAPT P10636 2/20 0.53
NPC1 O15118 1/20 0.53
PKM P14618 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDR P35968 1/20 0.48
TSHR P16473 1/20 0.48
GAA P10253 1/20 0.47
ATM Q13315 1/20 0.47
PTGS2 P35354 1/20 0.46

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
SCHEMBL9713451 0.84 CYP1A2 (0.59) CYP3A4CYP1A2CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL9712883 0.83 CYP1A2 (0.57) CYP3A4CYP1A2CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL9712601 0.83 CYP1A2 (0.57) CYP3A4CYP1A2CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL11301542 0.81 MAPT (0.57) CYP3A4CYP1A2CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL11299623 0.81 MAPT (0.64) CYP3A4CYP1A2CYP2C19SMN1; SMN2RAB9A
SCHEMBL9713410 0.81 CYP1A2 (0.55) CYP3A4CYP1A2CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL9712607 0.81 CYP1A2 (0.55) CYP3A4CYP1A2CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL9712816 0.81 CYP1A2 (0.55) CYP3A4CYP1A2CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL9712888 0.81 CYP1A2 (0.55) CYP3A4CYP1A2CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL9713654 0.80 CYP1A2 (0.52) CYP3A4CYP1A2CYP2C19ALDH1A1SMN1; 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