SCHEMBL9760053

SCHEMBL9760053

Nc1cc(Cl)c(NC(=O)c2ccccc2)cc1Cl

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.60
HDAC2 Q92769 5/20 0.60
HDAC3 O15379 3/20 0.60
MAPK1 P28482 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
MAPT P10636 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
NPSR1 Q6W5P4 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
HSD17B10 Q99714 1/20 0.55
KCNMA1 Q12791 1/20 0.53
KDM4E B2RXH2 1/20 0.52
RXFP1 Q9HBX9 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
SCHEMBL11574236 0.94 HDAC1 (0.60) HDAC1HDAC2HDAC3MAPK1SMN1; SMN2
SCHEMBL9362200 0.90 HDAC1 (0.68) HDAC1SMN1; SMN2NPC1RAB9AHDAC8
Acetoacetic Acid SCHEMBL11806460 0.89 SMN1; SMN2 (0.50) HDAC1HDAC2HDAC3MAPK1SMN1; SMN2
SCHEMBL9492060 0.88 KCNMA1 (0.61) HDAC1HDAC2HDAC3MAPK1SMN1; SMN2
SCHEMBL11789934 0.87 HDAC1 (0.59) HDAC1NPC1RAB9AHDAC8HDAC6
SCHEMBL3445622 0.86 MAPT (0.62) HDAC1HDAC2HDAC3MAPK1SMN1; SMN2
SCHEMBL11314855 0.86 MAPT (0.62) HDAC1HDAC2HDAC3MAPK1SMN1; SMN2
SCHEMBL11793225 0.84 NPC1 (0.61) HDAC1MAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL403486 0.84 HDAC1 (0.66) HDAC1HDAC2HDAC3MAPK1SMN1; SMN2
SCHEMBL11575813 0.83 MAPT (0.62) HDAC1HDAC2HDAC3MAPK1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5021573-A Heterocyclic pigments and dyes SANDOZ LTD. (CH) 1991-06-04 US claimed
US-4263205-A FOR COLORING POLYMERS, LACQUERS CIBA-GEIGY CORPORATION (US) 1981-04-21 US disclosed
US-4220586-A FASTNESS TO LIGHT, OVER-LACQUERING, MIGRATION, WEATHERING, AND HEAT CIBA-GEIGY CORPORATION (US) 1980-09-02 US disclosed
US-4080321-A COLORFASTNESS HOECHST AKTIENGESELLSCHAFT (DT) 1978-03-21 US disclosed
US-4062838-A LACQUERS, PRINTING INKS, YELLOW TO ORANGE CIBA-GEIGY CORPORATION (US) 1977-12-13 US disclosed