SCHEMBL7982401

SCHEMBL7982401

Cc1cnc(C(=O)NCCCOc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
MAPT P10636 4/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HTT P42858 2/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 4/20 0.40
POLB P06746 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 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
SCHEMBL7979672 0.85 KDM4E (0.51) NPC1HPGDKDM4EALDH1A1POLB
SCHEMBL7965955 0.85 KMT2A (0.51) KDM4EPOLBCYP1A2CYP3A4CYP2C19
SCHEMBL7965618 0.83 NPC1 (0.52) NPC1RAB9AMAPTHPGDKDM4E
SCHEMBL7965974 0.82 SCN9A (0.46)
SCHEMBL7977981 0.80 SCN9A (0.45)
SCHEMBL7975948 0.80 NPC1 (0.51) NPC1RAB9AMAPTHPGDKDM4E
SCHEMBL8061945 0.80 KMT2A (0.47) NPC1RAB9AKDM4EALDH1A1L3MBTL1
SCHEMBL7976286 0.80 HTT (0.40) NPC1RAB9AHPGDKDM4EHTT
SCHEMBL7976376 0.79 SCN9A (0.43)
SCHEMBL8065554 0.79 HTT (0.36) NPC1RAB9AMAPTHPGDKDM4E

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-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