SCHEMBL9689823

SCHEMBL9689823

N=C(N)Nc1ccc(C(=O)Oc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.56
TRPV1 Q8NER1 3/20 0.55
FAAH O00519 2/20 0.52
MAPT P10636 2/20 0.49
F9 P00740 1/20 0.48
PRSS1 P07477 1/20 0.48
ACR P10323 1/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL10956570 0.90 KMT2A (0.56) MAPTPRSS1ACRKMT2AMEN1
SCHEMBL9689610 0.87 F9 (0.47) EPHX2TRPV1FAAHF9PRSS1
SCHEMBL9955776 0.87 EPHX2 (0.62) EPHX2TRPV1FAAHMAPTKMT2A
SCHEMBL11316711 0.85 PARP10 (0.61) PRSS1ACRKMT2AMEN1SMN1; SMN2
SCHEMBL7328271 0.84 ACR (0.58) MAPTPRSS1ACRKMT2AMEN1
SCHEMBL11569991 0.84 KMT2A (0.54) EPHX2FAAHPRSS1ACRKMT2A
SCHEMBL3675089 0.83 KMT2A (0.69) MAPTPRSS1ACRKMT2AMEN1
Hydrochloric Acid SCHEMBL7330789 0.83 ACR (0.59) MAPTPRSS1ACRKMT2AMEN1
SCHEMBL9689740 0.83 RXRA (0.43) EPHX2TRPV1FAAHMAPTF9
SCHEMBL10309162 0.82 KMT2A (0.63) EPHX2MAPTPRSS1ACRKMT2A

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-0486702-A1 PHENYL 4-GUANIDINOBENZOATE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND PROTEASE INHIBITOR CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1992-05-27 EP disclosed