SCHEMBL9713624

SCHEMBL9713624

CCOc1cccc(OCC)c1C(=O)Nc1cc(C(C)(C)CC)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
RXFP1 Q9HBX9 4/20 0.39
GAA P10253 1/20 0.38
KCNK3 O14649 2/20 0.37
KCNK9 Q9NPC2 2/20 0.37
MRGPRX1 Q96LB2 1/20 0.37
BRAF P15056 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL9712744 0.90 ALDH1A1 (0.45) SMN1; SMN2TSHRTP53RXFP1CYP1A2
SCHEMBL9713881 0.86 MAPT (0.36) SMN1; SMN2RXFP1GAACYP1A2CYP2C19
SCHEMBL9713120 0.81 ALDH1A1 (0.43) SMN1; SMN2TSHRTP53RXFP1CYP1A2
SCHEMBL9712819 0.81 ALDH1A1 (0.45) SMN1; SMN2TSHRTP53RXFP1CYP1A2
SCHEMBL9713470 0.79 SMN1; SMN2 (0.44) SMN1; SMN2TSHRTP53KCNK3KCNK9
SCHEMBL9712910 0.77 MAPT (0.50) SMN1; SMN2TSHRTP53RXFP1CYP1A2
SCHEMBL22535182 0.76 MAPK14 (0.43) SMN1; SMN2MRGPRX1CYP1A2CYP2C19
SCHEMBL9713377 0.72 SMN1; SMN2 (0.43) SMN1; SMN2TSHRTP53RXFP1GAA
SCHEMBL9713315 0.67 MAPT (0.46) SMN1; SMN2TSHRTP53RXFP1KCNK3
SCHEMBL9712960 0.67 MAPK14 (0.54) SMN1; SMN2TSHRTP53BRAFCYP1A2

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