SCHEMBL10434826

SCHEMBL10434826

Cc1cc(Oc2ccc(F)cc2)n(C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 2/20 0.45
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP3A4 P08684 2/20 0.40
P2RX3 P56373 2/20 0.39
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.36
CASP3 P42574 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
P2RY1 P47900 1/20 0.35
ATM Q13315 1/20 0.34
AR P10275 1/20 0.34
CYP2C9 P11712 1/20 0.34
GAA P10253 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
SCHEMBL9670500 0.86 TDP1 (0.43) P2RX3HTTALDH1A1POLBCASP3
SCHEMBL21186394 0.83 ALDH1A1 (0.47) CYP3A4P2RX3ALDH1A1POLBSMN1; SMN2
SCHEMBL13242980 0.81 MEN1 (0.47) P2RX3SMN1; SMN2LTA4H
SCHEMBL28131183 0.76 SLC6A2 (0.42) KDM4EHTTALDH1A1POLBSMN1; SMN2
SCHEMBL28550245 0.76 HTT (0.56) SCN4AHTTALDH1A1ATMGAA
SCHEMBL15985660 0.76 P2RX3 (0.35) P2RX3ALDH1A1POLBCASP3SENP8
SCHEMBL14649868 0.75 ALDH1A1 (0.45) HTTALDH1A1SMN1; SMN2TDP1GAA
SCHEMBL28440651 0.74 MPO (0.44) P2RX3LTA4H
SCHEMBL13266734 0.74 P2RX3 (0.37) P2RX3KDM4EALDH1A1POLBCASP3
SCHEMBL18500603 0.72 POLB (0.55) CYP1A2CYP2C19KDM4EALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0391685-A1 Pyrazoleoxime derivatives and insecticides, acaricides and fungicides UBE INDUSTRIES, LTD. (JP) 1990-10-10 EP disclosed