SCHEMBL8875728

SCHEMBL8875728

CCCCc1ccc(C#N)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.46
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
HPGD P15428 2/20 0.43
RAB9A P51151 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SKP2 Q13309 1/20 0.42
SIGMAR1 Q99720 2/20 0.42
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL19122600 0.95 HSD17B10 (0.49) TRPV4NOS3NOS1SMN1; SMN2ALDH1A1
SCHEMBL24267634 0.93 HSD17B10 (0.51) TRPV4NOS3NOS1ALDH1A1TSHR
SCHEMBL8875503 0.93 HSD17B10 (0.51) TRPV4NOS3NOS1ALDH1A1TSHR
SCHEMBL24776881 0.89 TRPV4 (0.48) TRPV4NOS3NOS1SIGMAR1KCNJ1
SCHEMBL6231115 0.88 TSHR (0.44) SMN1; SMN2NPC1HPGDRAB9ANPSR1
SCHEMBL10334702 0.84 HSD17B10 (0.46) SMN1; SMN2NPC1HPGDRAB9ANPSR1
SCHEMBL12189123 0.82 TRPV4 (0.52) TRPV4NOS3NOS1KCNJ1KCNH2
SCHEMBL18923563 0.81 HSD17B10 (0.53) ALDH1A1TSHRHSD17B10SIGMAR1KCNH2
SCHEMBL13953242 0.81 TRPV4 (0.41) TRPV4NOS3NOS1SIGMAR1KCNJ1
SCHEMBL3914612 0.81 SKP2 (0.56) NOS3NOS1SMN1; SMN2NPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5700824-A Triazole derivatives, insecticide, acaricide and methods thereof KUMIAI CHEMICAL INDUSTRIAL CO. LTD. (JP) 1997-12-23 US disclosed
US-5616594-A Triazole derivatives, insecticide, acaricide and methods thereof IHARA CHEMICAL INDUSTRY CO. LTD. (JP) 1997-04-01 US disclosed
EP-0648752-A1 TRIAZOLE DERIVATIVE, INSECTICIDAL/ACARICIDAL AGENT, AND PROCESS FOR PRODUCING THE SAME KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-04-19 EP disclosed