SCHEMBL6864568

SCHEMBL6864568

Cc1ccccc1NC(=O)c1cc(N)cc(N)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.67
POLB P06746 3/20 0.67
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
MAPT P10636 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
TAS1R3 Q7RTX0 1/20 0.58
TAS1R1 Q7RTX1 1/20 0.58
TAS1R2 Q8TE23 1/20 0.58
ALDH1A1 P00352 4/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
GAA P10253 1/20 0.55
DDX3X O00571 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HTT P42858 2/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL6866826 0.91 POLB (0.60) HPGDPOLBNPC1RAB9AMAPT
SCHEMBL2908808 0.88 HPGD (0.79) HPGDPOLBNPC1RAB9AMAPT
SCHEMBL21870336 0.87 POLB (0.68) HPGDPOLBNPC1RAB9AMAPT
SCHEMBL683706 0.85 POLB (0.74) HPGDPOLBNPC1RAB9AMAPT
SCHEMBL23888859 0.83 HDAC1 (0.71) NPC1RAB9AMAPK1
SCHEMBL9055150 0.82 HPGD (0.89) HPGDPOLBNPC1RAB9AMAPT
SCHEMBL11322971 0.81 NPC1 (0.66) HPGDPOLBNPC1RAB9AMAPT
SCHEMBL10766253 0.81 NPC1 (0.66) HPGDPOLBNPC1RAB9AMAPT
N-O-Tolylbenzamide SCHEMBL3223289 0.80 HPGD (1.00) HPGDPOLBNPC1RAB9AMAPT
SCHEMBL15556976 0.80 TOP1 (0.77) HPGDPOLBNPC1RAB9AMAPT

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-6808766-B1 ALIGNMENT AGENT COMPRISING POLYURETHANE OR POLYUREA, USED IN ALIGNMENT OF LIQUID CRYSTAL MOLECULES THAT FORM LIQUID CRYSTAL ALIGNMENT FILM BY IRRADIATING THIN ALIGNMENT FILM FORMED ON SUBSTRATE WITH POLARIZED LIGHT OR ELECTRON RAYS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-10-26 US disclosed
EP-1111442-A1 TREATING AGENT FOR LIQUID CRYSTAL ALIGNMENT LAYER AND LIQUID CRYSTAL DEVICE USING THE SAME, AND METHOD FOR ALIGNMENT OF LIQUID CRYSTAL Nissan Chemical Industries, Ltd. (JP) 2001-06-27 EP disclosed