SCHEMBL11540940

SCHEMBL11540940

CCCC(=O)c1ccc2nc(N)[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP6 P51161 2/20 0.58
ABL1 P00519 1/20 0.58
PLAU P00749 1/20 0.50
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3A P46098 1/20 0.46
BACE1 P56817 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
HSP90AA1 P07900 1/20 0.46
ESR2 Q92731 1/20 0.46
ALDH1A1 P00352 2/20 0.44
APEX1 P27695 1/20 0.44
CHEK2 O96017 5/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B3 P37058 1/20 0.42
TYMS P04818 1/20 0.42
HPGD P15428 2/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL11540936 0.89 FABP6 (0.45) FABP6ABL1PLAUALDH1A1NPSR1
SCHEMBL6112815 0.82 ABL1 (0.61) FABP6ABL1PLAUHTR3EHTR3B
SCHEMBL11477127 0.82 NPSR1 (0.66) PLAUTDP1HSP90AA1ESR2ALDH1A1
Bromide SCHEMBL6125570 0.81 ABL1 (0.59) FABP6ABL1PLAUHTR3EHTR3B
SCHEMBL725578 0.80 FABP6 (0.66) FABP6ABL1PLAUHTR3EHTR3B
SCHEMBL9205488 0.80 PSMB8 (0.50) ABL1TDP1HSP90AA1ESR2ALDH1A1
SCHEMBL9209540 0.80 SMN1; SMN2 (0.49) TDP1HSP90AA1ESR2ALDH1A1APEX1
SCHEMBL8283877 0.79 PKN1 (0.64) FABP6ABL1PLAUTDP1HSP90AA1
SCHEMBL1261208 0.79 ABL1 (0.72) FABP6ABL1PLAUHTR3EHTR3B
SCHEMBL12685844 0.79 ABL1 (0.68) FABP6ABL1PLAUHTR3EHTR3B

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-4167569-A ANTICOAGULANTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-09-11 US disclosed