SCHEMBL8030402

SCHEMBL8030402

CN(C(=O)COc1ccccc1N(CC1CCCC1)C(=O)CNC(=O)Nc1cccc(C(=O)O)c1)c1cc(F)cc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 6/20 0.40
EPHX2 P34913 1/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
MITF O75030 3/20 0.39
PAX8 Q06710 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
KLF5 Q13887 1/20 0.39
DAPK1 P53355 1/20 0.36
PIM3 Q86V86 1/20 0.36
CASR P41180 1/20 0.36
CCR3 P51677 2/20 0.35
CYP2D6 P10635 1/20 0.35
HTR2A P28223 1/20 0.35
POLB P06746 1/20 0.35
CXCR1 P25024 1/20 0.34
CXCR2 P25025 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
SCHEMBL8030341 0.99 BDKRB2 (0.40) BDKRB2EPHX2NPC1RAB9AMITF
SCHEMBL8020615 0.94 EPHX2 (0.41) BDKRB2EPHX2RAB9ASMN1; SMN2CASR
SCHEMBL8029973 0.94 BDKRB2 (0.40) BDKRB2EPHX2NPC1RAB9AMITF
SCHEMBL8033794 0.93 BDKRB2 (0.42) BDKRB2NPC1RAB9AMITFPAX8
SCHEMBL8031876 0.93 EPHX2 (0.40) BDKRB2EPHX2RAB9ASMN1; SMN2CASR
SCHEMBL8030420 0.93 BDKRB2 (0.39) BDKRB2EPHX2NPC1RAB9AMITF
SCHEMBL8030290 0.92 BDKRB2 (0.42) BDKRB2EPHX2NPC1RAB9AMITF
SCHEMBL8034123 0.91 BDKRB2 (0.42) BDKRB2EPHX2NPC1RAB9AMITF
SCHEMBL8031913 0.91 BDKRB2 (0.41) BDKRB2EPHX2NPC1RAB9AMITF
SCHEMBL8030426 0.90 KMT2A (0.36) CCR3HTR2APOLBCXCR1CXCR2

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-0985660-A1 AMINOPHENOL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed