SCHEMBL8696372

SCHEMBL8696372

Cc1nc(Cl)c(Cl)n1CCC1CCCCN1C(=O)CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.52
RAB9A P51151 3/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TP53 P04637 2/20 0.41
PRCP P42785 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 2/20 0.41
F2 P00734 1/20 0.41
BLM P54132 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CPT2 P23786 1/20 0.40
CPT1A P50416 1/20 0.40

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
SCHEMBL8543259 0.81 POLB (0.50) NPC1MEN1KMT2ATDP1HPGD
SCHEMBL8701661 0.80 MEN1 (0.43) MEN1KMT2AALDH1A1NPSR1
SCHEMBL8696612 0.78 BLM (0.61) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL8543707 0.78 NPC1 (0.62) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL14646631 0.78 NPC1 (0.70) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL8696370 0.78 NPC1 (0.45) NPC1RAB9AMEN1KMT2APRCP
SCHEMBL8541992 0.77 NPC1 (0.64) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL8699576 0.77 NPC1 (0.53) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL8696494 0.77 NPC1 (0.53) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL8701544 0.77 NPC1 (0.53) NPC1RAB9AMEN1KMT2ATP53

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
US-5741800-A ANTIINFLAMMATORY AGENT, ANTIALLERGENS KNOLL AKTIENGESELLACHAFT (DE) 1998-04-21 US disclosed