SCHEMBL9710799

SCHEMBL9710799

CO/C(=N\N)C(Cl)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
TSHR P16473 3/20 0.37
CYP3A4 P08684 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 2/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2C P18825 1/20 0.34
HIF1A Q16665 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NOS2 P35228 1/20 0.34
MEN1 O00255 2/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL9710802 1.00 KMT2A (0.40) KMT2ATSHRCYP3A4CYP1A2CYP2D6
SCHEMBL10333088 0.81 KMT2A (0.42) KMT2ATSHRCYP3A4CYP1A2CYP2D6
SCHEMBL10333089 0.81 KMT2A (0.42) KMT2ATSHRCYP3A4CYP1A2CYP2D6
SCHEMBL8953655 0.81 RIPK1 (0.35) TSHRLMNAADRA2AADRA2CHIF1A
SCHEMBL11766832 0.81 MMP8 (0.40) KMT2ATSHRCYP3A4CYP1A2CYP2D6
SCHEMBL11766835 0.81 MMP8 (0.40) KMT2ATSHRCYP3A4CYP1A2CYP2D6
SCHEMBL7309316 0.71 KMT2A (0.44) KMT2ATSHRCYP3A4CYP1A2CYP2D6
SCHEMBL1526022 0.71 KMT2A (0.64) KMT2ATSHRLMNAMEN1PTGS1
SCHEMBL11776768 0.70 KMT2A (0.48) KMT2ATSHRCYP3A4CYP1A2CYP2D6
SCHEMBL9711394 0.70 KMT2A (0.37) KMT2ATSHRCYP3A4CYP1A2CYP2D6

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-0290682-B1 HERBICIDAL 4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-3-CARBOXAMIDE DERIVATIVES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1992-07-01 EP claimed
EP-0290682-A2 Herbicidal 4,5-dihydro-1H-1,2,4-triazole-3-carboxamide derivatives KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-11-17 EP claimed
EP-0290682-B1 HERBICIDAL 4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-3-CARBOXAMIDE DERIVATIVES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1992-07-01 EP disclosed
US-4897106-A Derivative of 4,5-dihydro-1H-1,2,4-triazole-3-carboxamide, and herbicidal composition containing the derivative KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1990-01-30 US disclosed
EP-0290682-A2 Herbicidal 4,5-dihydro-1H-1,2,4-triazole-3-carboxamide derivatives KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-11-17 EP disclosed