SCHEMBL9689610

SCHEMBL9689610

N=C(N)Nc1ccc(C(=O)Oc2cccc(OC(F)(F)F)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.47
PRSS1 P07477 2/20 0.46
ACR P10323 2/20 0.46
EPHX2 P34913 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TRPV1 Q8NER1 3/20 0.44
NAMPT P43490 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CNR1 P21554 1/20 0.42
FAAH O00519 1/20 0.42

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
SCHEMBL9689823 0.87 EPHX2 (0.56) F9PRSS1ACREPHX2TRPV1
SCHEMBL27690177 0.83 PARP10 (0.50) PRSS1ACRNPC1RAB9AMEN1
SCHEMBL7336070 0.81 MLYCD (0.52) F9NPC1RAB9ATRPV1MEN1
SCHEMBL9235738 0.81 PRSS1 (0.45) PRSS1ACRNPC1RAB9AMEN1
SCHEMBL4104661 0.81 KMT2A (0.59) PRSS1ACREPHX2MEN1KMT2A
SCHEMBL27671251 0.81 PRSS1 (0.62) PRSS1ACRNPC1RAB9AMEN1
SCHEMBL9689740 0.81 RXRA (0.43) F9PRSS1ACREPHX2NPC1
SCHEMBL9688343 0.81 POLB (0.43) PRSS1ACREPHX2RAB9AMEN1
SCHEMBL22416610 0.80 PRSS1 (0.48) PRSS1ACRNPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL29825181 0.80 KMT2A (0.57) PRSS1ACREPHX2MEN1KMT2A

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