SCHEMBL11540936

SCHEMBL11540936

CCCC(=O)c1ccc2[nH]c(N)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP6 P51161 2/20 0.45
ABL1 P00519 1/20 0.45
HSD17B3 P37058 1/20 0.42
HPGD P15428 4/20 0.41
CTNNB1 P35222 4/20 0.40
WNT3A P56704 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MASP2 O00187 1/20 0.40
NUDT1 P36639 1/20 0.40
AOC3 Q16853 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PLAU P00749 1/20 0.40
STS P08842 1/20 0.38
GABRA1 P14867 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38

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
SCHEMBL11540940 0.89 FABP6 (0.58) FABP6ABL1HSD17B3HPGDCTNNB1
SCHEMBL4404802 0.88 FABP6 (0.47) FABP6ABL1HPGDCTNNB1WNT3A
SCHEMBL11293674 0.82 NPSR1 (0.51) HSD17B3HPGDCTNNB1WNT3AALDH1A1
SCHEMBL11299530 0.82 PIN1 (0.48) HSD17B3HPGDCTNNB1WNT3AMEN1
SCHEMBL11501392 0.81 HSD17B3 (0.41) HSD17B3HPGDCTNNB1WNT3AALDH1A1
SCHEMBL725577 0.80 FABP6 (0.50) FABP6ABL1ALDH1A1MEN1KMT2A
SCHEMBL9205475 0.80 PSMB8 (0.40) HSD17B3HPGDCTNNB1WNT3AALDH1A1
SCHEMBL9209528 0.80 HSD17B3 (0.40) HSD17B3HPGDCTNNB1WNT3AALDH1A1
SCHEMBL11148656 0.79 HCRTR1 (0.53) HPGDALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL22121440 0.79 FABP6 (0.51) FABP6ABL1ALDH1A1MEN1KMT2A

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