SCHEMBL9225796

SCHEMBL9225796

O=C(O)c1cc(Cl)cnc1C(=O)c1cc2c(c(F)c1F)OCO2

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.34
LTC4S Q16873 2/20 0.33
KMT2A Q03164 2/20 0.33
XDH P47989 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MCHR1 Q99705 1/20 0.32
GRIK1 P39086 1/20 0.31
EIF4EBP1 Q13541 1/20 0.31
CDK2 P24941 2/20 0.31
KDM4E B2RXH2 1/20 0.30
ACVRL1 P37023 1/20 0.30
FABP4 P15090 1/20 0.30

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
SCHEMBL9230814 0.88 CDK2 (0.32) KMT2AXDHSLC22A12MAPTSMN1; SMN2
SCHEMBL9222731 0.80 KDM4E (0.46) DHODHKMT2AXDHSLC22A12LMNA
SCHEMBL9228157 0.80 GRIK1 (0.42) LTC4SKMT2AXDHSLC22A12LMNA
SCHEMBL7871976 0.78 ALDH1A1 (0.41) DHODHKMT2AXDHSLC22A12MAPT
SCHEMBL9230230 0.74 ALDH1A1 (0.41) DHODHKMT2ALMNAMAPTHPGD
SCHEMBL8939314 0.72 HTT (0.39) KMT2AXDHSLC22A12LMNAHPGD
SCHEMBL9225898 0.71 KDM4E (0.46) DHODHKMT2ALMNAMAPTSMN1; SMN2
SCHEMBL9231668 0.70 CSNK2A1 (0.38) KMT2AXDHSLC22A12LMNAMAPT
SCHEMBL8871624 0.69 ALDH1A1 (0.43) KMT2AXDHSLC22A12HPGDSMN1; SMN2
SCHEMBL9540717 0.69 ALDH1A1 (0.41) DHODHKMT2AXDHSLC22A12MAPT

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-0634413-A1 Herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1995-01-18 EP disclosed