SCHEMBL11313554

SCHEMBL11313554

Cc1ccc(C(=O)Nc2ccccc2Cl)cc1N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.64
RAB9A P51151 6/20 0.64
PDE4D Q08499 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.57
ALDH1A1 P00352 1/20 0.57
GLA P06280 1/20 0.57
ATM Q13315 1/20 0.57
CNR2 P34972 1/20 0.57
JAK2 O60674 1/20 0.56
JAK1 P23458 1/20 0.56
MAPK1 P28482 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
APOBEC3A P31941 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
P4HTM Q9NXG6 1/20 0.52

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
SCHEMBL11313281 0.87 NPC1 (0.60) NPC1RAB9APDE4DL3MBTL1ALDH1A1
SCHEMBL11322971 0.87 NPC1 (0.66) NPC1RAB9AL3MBTL1ALDH1A1CNR2
SCHEMBL30523322 0.87 MAPT (0.52) NPC1RAB9APDE4DCNR2NPSR1
SCHEMBL29071271 0.87 MAPT (0.52) NPC1RAB9APDE4DCNR2NPSR1
SCHEMBL11314665 0.84 NPC1 (0.57) NPC1RAB9AALDH1A1NPSR1MAPT
SCHEMBL11174674 0.84 JAK2 (0.57) ALDH1A1JAK2JAK1LMNAMAPT
SCHEMBL23602954 0.84 NPC1 (0.66) NPC1RAB9APDE4DL3MBTL1ALDH1A1
SCHEMBL14566867 0.84 JAK2 (0.55) NPC1PDE4DJAK2JAK1LMNA
SCHEMBL11313791 0.83 LMNA (0.64) NPC1RAB9AALDH1A1CNR2NPSR1
SCHEMBL3319357 0.82 PDE4D (0.78) NPC1RAB9APDE4DL3MBTL1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4263205-A FOR COLORING POLYMERS, LACQUERS CIBA-GEIGY CORPORATION (US) 1981-04-21 US disclosed
US-4031073-A Monoazo pigments containing barbituric acid or thio- or imino-derivatives thereof CIBA-GEIGY CORPORATION (US) 1977-06-21 US disclosed