SCHEMBL9789268

SCHEMBL9789268

C=CCOC(=O)c1ccc(Cl)c(C)c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
HSD17B10 Q99714 2/20 0.52
TSHR P16473 1/20 0.52
CYP3A4 P08684 1/20 0.51
KDM4E B2RXH2 4/20 0.41
HPGD P15428 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 5/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
POLB P06746 2/20 0.39
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38

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
SCHEMBL8765881 0.79 ALDH1A1 (0.63) ALDH1A1HSD17B10TSHRCYP3A4KDM4E
SCHEMBL250686 0.78 ALDH1A1 (0.60) ALDH1A1HSD17B10TSHRCYP3A4KDM4E
SCHEMBL11638764 0.77 CYP3A4 (0.59) ALDH1A1HSD17B10TSHRCYP3A4KDM4E
SCHEMBL8041829 0.77 CYP3A4 (0.73) ALDH1A1HSD17B10TSHRCYP3A4KDM4E
SCHEMBL2264277 0.77 ABL1 (0.53) ALDH1A1HSD17B10TSHRKDM4EHPGD
SCHEMBL2361415 0.77 ALDH1A1 (0.63) ALDH1A1HSD17B10TSHRCYP3A4KDM4E
SCHEMBL5108252 0.77 ALDH1A1 (0.55) ALDH1A1HSD17B10TSHRCYP3A4KDM4E
SCHEMBL8788030 0.76 ALDH1A1 (0.51) ALDH1A1HSD17B10TSHRCYP3A4KDM4E
SCHEMBL9789351 0.74 ALDH1A1 (0.52) ALDH1A1HSD17B10TSHRCYP3A4KDM4E
SCHEMBL7752080 0.74 ALDH1A1 (0.63) ALDH1A1HSD17B10TSHRCYP3A4KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4983772-A 2-Methoxy-6-trifluoromethylaniline and 2,6-difluoro-3-methylaniline, intermediates to triazolo/1,5-a/pyrmidine-2-sulfonamide herbicides THE DOW CHEMICAL COMPANY (US) 1991-01-08 US disclosed
US-4954163-A PRE-AND POSTEMERGENCE HERBICIDES THE DOW CHEMICAL COMPANY (US) 1990-09-04 US disclosed
US-4886883-A HERBICIDES THE DOW CHEMICAL COMPANY (US) 1989-12-12 US disclosed
US-4818273-A Substituted 1,2,4-triazolo[1,5-a]pyrimidine-2-sulfonamides, compositions containing them, and their utility as herbicides THE DOW CHEMICAL COMPANY (US) 1989-04-04 US disclosed