SCHEMBL1897882

SCHEMBL1897882

Cc1ccc(Cn2nc(C)cc2C(=O)Nc2ccccc2Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 1.00
NPC1 O15118 3/20 1.00
KMT2A Q03164 2/20 1.00
NPSR1 Q6W5P4 5/20 0.68
MAPT P10636 4/20 0.68
SMYD3 Q9H7B4 2/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
MAPK1 P28482 3/20 0.47
ALDH1A1 P00352 2/20 0.47

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
SCHEMBL1900773 0.83 NPSR1 (0.90) RAB9ANPC1KMT2ANPSR1MAPT
SCHEMBL7744959 0.81 NPSR1 (1.00) RAB9ANPC1KMT2ANPSR1MAPT
SCHEMBL1897745 0.81 NPSR1 (0.71) RAB9ANPC1KMT2ANPSR1MAPT
SCHEMBL2079137 0.76 MAPT (0.62) RAB9ANPC1KMT2ANPSR1MAPT
SCHEMBL144387 0.75 NPSR1 (0.76) RAB9ANPC1KMT2ANPSR1MAPT
SCHEMBL147011 0.75 NPSR1 (0.65) RAB9ANPC1KMT2ANPSR1MAPT
SCHEMBL1902360 0.73 KMT2A (0.57) RAB9ANPC1KMT2ANPSR1MAPT
SCHEMBL15165519 0.73 CYP1A2 (0.58) RAB9ANPC1KMT2ANPSR1MAPT
SCHEMBL10073088 0.71 LMNA (0.66) RAB9ANPC1KMT2ANPSR1MAPT
SCHEMBL5178107 0.71 GRN (0.67) RAB9ANPC1KMT2ANPSR1MAPT

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
EP-1252156-B1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UCL BUSINESS PLC (GB) 2011-05-04 EP disclosed