SCHEMBL9712907

SCHEMBL9712907

COc1cccc(OC)c1C(=O)Nc1nc(C(C)(C)C)no1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
TP53 P04637 1/20 0.45
MAPT P10636 2/20 0.44
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL9712842 0.81 CYP1A2 (0.44) CYP1A2CYP3A4CYP2C19TP53MAPT
SCHEMBL11915958 0.77 NPC1 (0.49) MAPTRAB9AALDH1A1KDM4ELMNA
SCHEMBL9712857 0.75 CYP1A2 (0.70) CYP1A2CYP3A4CYP2C19RAB9ALMNA
SCHEMBL9712601 0.74 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C19TP53MAPT
SCHEMBL9712640 0.74 TP53 (0.54) CYP1A2CYP3A4CYP2C19TP53MAPT
SCHEMBL9712904 0.72 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C19TP53MAPT
SCHEMBL31028574 0.71 IDO1 (0.46) CYP1A2TP53MAPTRAB9AALDH1A1
SCHEMBL9712607 0.70 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C19TP53MAPT
SCHEMBL9713410 0.70 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C19TP53MAPT
SCHEMBL9712915 0.69 CYP3A4 (0.65) CYP1A2CYP3A4CYP2C19TP53MAPT

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