SCHEMBL9712910

SCHEMBL9712910

COc1cccc(OC)c1C(=O)Nc1cc(C(C)(C)C)n[nH]1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
TP53 P04637 1/20 0.45
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
RXFP1 Q9HBX9 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
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
SCHEMBL9712819 0.88 ALDH1A1 (0.45) MAPTCYP1A2CYP3A4CYP2C19TP53
SCHEMBL9712744 0.88 ALDH1A1 (0.45) MAPTCYP1A2CYP3A4CYP2C19TP53
SCHEMBL9713120 0.86 ALDH1A1 (0.43) MAPTCYP1A2CYP3A4CYP2C19TP53
SCHEMBL9713624 0.77 SMN1; SMN2 (0.41) CYP1A2CYP2C19TP53RXFP1SMN1; SMN2
SCHEMBL9713470 0.77 SMN1; SMN2 (0.44) MAPTCYP1A2CYP3A4CYP2C19TP53
SCHEMBL9712722 0.74 TP53 (0.48) MAPTCYP1A2CYP3A4CYP2C19TP53
SCHEMBL9712601 0.74 CYP1A2 (0.57) MAPTCYP1A2CYP3A4CYP2C19TP53
SCHEMBL9712770 0.74 CYP1A2 (0.53) MAPTCYP1A2CYP3A4CYP2C19TP53
SCHEMBL23637676 0.71 ALDH1A1 (0.44) MAPTCYP1A2TP53RAB9AALDH1A1
SCHEMBL23500568 0.71 EGFR (0.48) MAPTALDH1A1KDM4ELMNARXFP1

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