SCHEMBL20187400

SCHEMBL20187400

CC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cn1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.51
NPC1 O15118 5/20 0.49
MAPT P10636 4/20 0.49
RAB9A P51151 4/20 0.49
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 3/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.41
PAX8 Q06710 1/20 0.41
MAPK1 P28482 1/20 0.40
PRMT6 Q96LA8 1/20 0.37
SYK P43405 1/20 0.37
MMP12 P39900 1/20 0.36
AR P10275 2/20 0.35
MGLL Q99685 1/20 0.35
KMT2A Q03164 1/20 0.35
BACE1 P56817 1/20 0.35
F10 P00742 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
SCHEMBL287239 0.87 NPC1 (0.53) KCNJ1NPC1MAPTRAB9APOLB
SCHEMBL17633961 0.86 KMT2A (0.51) KCNJ1NPC1MAPTRAB9APOLB
SCHEMBL287709 0.85 NPC1 (0.49) NPC1MAPTRAB9APOLBNPSR1
SCHEMBL27851990 0.80 NPC1 (0.46) NPC1MAPTRAB9APOLBNPSR1
SCHEMBL12824117 0.80 NPC1 (0.57) KCNJ1NPC1MAPTRAB9APOLB
SCHEMBL28869852 0.79 NPC1 (0.48) NPC1MAPTRAB9APOLBNPSR1
SCHEMBL27851991 0.76 POLB (0.51) NPC1MAPTRAB9APOLBNPSR1
SCHEMBL30276673 0.75 POLB (0.46) NPC1MAPTRAB9APOLBNPSR1
SCHEMBL14544647 0.73 MAPT (0.71) NPC1MAPTRAB9APOLBNPSR1
SCHEMBL30276683 0.72 MAPT (0.47) NPC1MAPTRAB9APOLBNPSR1

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-2018095795-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-05-31 WO disclosed