SCHEMBL9523771

SCHEMBL9523771

Cc1cccc(C(=O)O)c1SCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
CYP2C9 P11712 3/20 0.51
MYC P01106 1/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 5/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CYP3A4 P08684 2/20 0.45
POLB P06746 2/20 0.44
PPARG P37231 3/20 0.44
PPARA Q07869 2/20 0.44
KDM6B O15054 1/20 0.43
KDM4A O75164 1/20 0.43
KDM4D Q6B0I6 1/20 0.43
HIF1AN Q9NWT6 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
KDM2A Q9Y2K7 1/20 0.43

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
SCHEMBL8822600 0.85 L3MBTL1 (0.58) ALDH1A1CYP2C9KDM4EHSD17B10SMN1; SMN2
SCHEMBL27317023 0.82 NPC1 (0.44) ALDH1A1CYP2C9SMN1; SMN2KMT2AL3MBTL1
SCHEMBL7364595 0.81 ALDH1A1 (0.52) ALDH1A1CYP2C9MYCKDM4EHPGD
SCHEMBL8636885 0.80 L3MBTL1 (0.41) ALDH1A1CYP2C9SMN1; SMN2KMT2AL3MBTL1
SCHEMBL9170004 0.79 SMN1; SMN2 (0.49) ALDH1A1CYP2C9KDM4EHPGDTP53
SCHEMBL9317843 0.79 SMN1; SMN2 (0.40) ALDH1A1CYP2C9KDM4EHPGDHSD17B10
SCHEMBL27990860 0.79 ALDH1A1 (0.49) ALDH1A1CYP2C9KDM4EHPGDTP53
SCHEMBL3780019 0.77 ALDH1A1 (0.55) ALDH1A1CYP2C9KDM4EHPGDHSD17B10
SCHEMBL6224766 0.77 ALDH1A1 (0.59) ALDH1A1CYP2C9MYCKDM4EHPGD
SCHEMBL11821719 0.77 RXRA (0.45) ALDH1A1CYP2C9KDM4EPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0336587-B1 FLUOROALKOXY AMINO TRIAZINES FOR CONTROL OF WEEDS IN SUGAR BEETS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-08-11 EP disclosed
US-5090993-A Herbicides, plant growth regulators E. I. DU PONT DE NEMOURS & COMPANY (US) 1992-02-25 US disclosed
EP-0406322-A1 FLUOROALKOXY AMINO TRIAZINES FOR CONTROL OF WEEDS IN SUGAR BEETS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-01-09 EP disclosed
EP-0336587-A1 Fluoroalkoxy amino triazines for control of weeds in sugar beets E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-10-11 EP disclosed
WO-1989009214-A1 FLUOROALKOXY AMINO TRIAZINES FOR CONTROL OF WEEDS IN SUGAR BEETS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-10-05 WO disclosed