SCHEMBL11840933

SCHEMBL11840933

CSc1nc(=O)n(-c2cccc(Cl)c2)c(=O)n1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
LMNA P02545 1/20 0.46
TLR8 Q9NR97 1/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.43
PDE11A Q9HCR9 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ALOX15 P16050 1/20 0.42
POLB P06746 1/20 0.40
MAT2A P31153 4/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL11839655 0.84 ALDH1A1 (0.45) RAB9ALMNATLR8MAPTMEN1
SCHEMBL11844568 0.84 ALDH1A1 (0.47) RAB9ALMNAMEN1NPC1KMT2A
SCHEMBL11838907 0.77 NPC1 (0.35) RAB9ALMNAMEN1NPC1KMT2A
SCHEMBL11840285 0.72 KDM4E (0.47) RAB9ALMNATLR8MAPTMEN1
SCHEMBL11741144 0.71 RAB9A (0.50) RAB9ALMNAMAPTMEN1NPC1
SCHEMBL9623886 0.69 ALDH1A1 (0.71) RAB9ALMNAMAPTMEN1KMT2A
SCHEMBL11020939 0.68 NPC1 (0.49) RAB9ALMNAMEN1NPC1KMT2A
SCHEMBL8830575 0.68 ALDH1A1 (0.47) LMNAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8830616 0.67 KMT2A (0.48) MAPTMEN1KMT2AALDH1A1RXFP1
SCHEMBL11277218 0.67 ALDH1A1 (0.46) MAPTMEN1KMT2AALDH1A1RXFP1

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-3983116-A Herbicidal triazines E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-09-28 US disclosed