SCHEMBL9713296

SCHEMBL9713296

CCCC(CCC)(CCCCc1ccccc1)c1cc(NC(=O)c2c(OCC)cccc2OCC)on1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.45
TSHR P16473 2/20 0.45
KMT2A Q03164 4/20 0.42
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.39
PLK1 P53350 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL9713007 0.90 KMT2A (0.38) TP53TSHRKMT2AMAPTSMN1; SMN2
SCHEMBL9713040 0.85 TP53 (0.49) TP53TSHRMAPTSMN1; SMN2CYP1A2
SCHEMBL9712804 0.77 CYP1A2 (0.50) TP53TSHRMAPTSMN1; SMN2CYP1A2
SCHEMBL9713315 0.76 MAPT (0.46) TP53TSHRMAPTSMN1; SMN2CYP1A2
SCHEMBL9712807 0.76 CYP1A2 (0.47) TP53TSHRMAPTSMN1; SMN2PLK1
SCHEMBL9713084 0.76 CYP1A2 (0.47) TP53TSHRMAPTSMN1; SMN2PLK1
SCHEMBL9712695 0.76 MAPT (0.43) TP53TSHRMAPTSMN1; SMN2CYP1A2
SCHEMBL9713708 0.75 CYP1A2 (0.46) TP53TSHRMAPTSMN1; SMN2CYP1A2
SCHEMBL9713472 0.74 TP53 (0.39) TP53TSHRMAPTSMN1; SMN2NPSR1
SCHEMBL9713651 0.72 TSHR (0.55) TP53TSHRMAPTSMN1; SMN2CYP1A2

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