SCHEMBL17514756

SCHEMBL17514756

Fc1cccc(COc2cc[c]cc2)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.46
PARP15 Q460N3 2/20 0.40
PARP10 Q53GL7 2/20 0.40
PARP14 Q460N5 1/20 0.40
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
XDH P47989 1/20 0.36
IDO1 P14902 2/20 0.35
PDCD1 Q15116 2/20 0.35
CD274 Q9NZQ7 2/20 0.35
NR4A2 P43354 1/20 0.35
MCL1 Q07820 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL17514826 0.83 MAOB (0.49) MAOBPARP15PARP10PARP14NPC1
SCHEMBL697645 0.83 IDO1 (0.53) MAOBNPC1RAB9AXDHIDO1
SCHEMBL863430 0.83 MAOB (0.60) MAOBPARP15PARP10PARP14NPC1
SCHEMBL17514976 0.81 PTPN1 (0.44) MAOBNPC1RAB9AIDO1NR4A2
SCHEMBL17514625 0.78 MAOB (0.41) MAOBPARP15PARP10PARP14RAB9A
SCHEMBL17514795 0.77 SMN1; SMN2 (0.52) RAB9ASMN1; SMN2TDP1
SCHEMBL920476 0.76 NR4A2 (0.57) MAOBNPC1RAB9AIDO1NR4A2
SCHEMBL17514994 0.75 MRGPRX4 (0.43) NR4A2PKM
SCHEMBL31634187 0.75 LMNA (0.54) MAOB
SCHEMBL17514532 0.74 HPD (0.44) MAOBNR4A2SMN1; SMN2

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
WO-2016026830-A1 NOVEL FUNGICIDAL PYRAZOLE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-02-25 WO disclosed