SCHEMBL7977673

SCHEMBL7977673

O=C(CCCNC(=O)c1cc(Cl)ccc1Cl)Oc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.44
HPGD P15428 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
CDK1 P06493 1/20 0.38
ALDH1A1 P00352 4/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
P2RX7 Q99572 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL7977813 0.90 FOLH1 (0.40) KMT2AMEN1CDK1ALDH1A1CA1
SCHEMBL7976381 0.88 HDAC1 (0.42) HPGDP2RX7CA1CA2CA12
SCHEMBL7976346 0.88 KMT2A (0.48) KMT2AMEN1HPGDCYP1A2CYP3A4
SCHEMBL7977672 0.84 TDP1 (0.38) KMT2AMEN1HPGDCYP1A2CYP3A4
SCHEMBL7979400 0.81 FLT1 (0.37) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL7979244 0.81 GAA (0.38) HTTMAPT
SCHEMBL8062554 0.80 KMT2A (0.48) KMT2AMEN1HPGDALDH1A1P2RX7
SCHEMBL7977810 0.80 NPSR1 (0.34) KMT2AMEN1CYP1A2ALDH1A1HTT
SCHEMBL7965923 0.78 MAPT (0.46) KMT2AMEN1HPGDALDH1A1HTT
SCHEMBL7965905 0.77 FOLH1 (0.40) KMT2AMEN1HPGDCDK1ALDH1A1

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
US-6214835-B1 CONTROLLING INSECTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-04-10 US disclosed
EP-0824514-B1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 2000-09-06 EP disclosed
US-6028100-A Dihalopropene compounds, insecticides containing them as active ingredients, and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-22 US disclosed
US-5952386-A EXCELLENT INSECTICIDAL ACTIVITY FOR THE CONTROL OF NOXIOUS INSECTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-09-14 US disclosed
WO-1996033160-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-10-24 WO disclosed