SCHEMBL8835261

SCHEMBL8835261

Cc1cccc(NC(=O)C(C)C#N)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.56
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
RXFP1 Q9HBX9 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.49
IMPDH2 P12268 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.48
KCNK3 O14649 1/20 0.47
KCNH2 Q12809 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47
ALDH1A1 P00352 3/20 0.47
TP53 P04637 1/20 0.47
LMNA P02545 1/20 0.47
SAE1 Q9UBE0 1/20 0.47
UBA2 Q9UBT2 1/20 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
SCHEMBL2735680 0.82 HSD17B10 (0.65) HSD17B10KMT2AMEN1RXFP1SMN1; SMN2
SCHEMBL9223095 0.82 ALDH1A1 (0.56) HSD17B10KMT2AMEN1RXFP1SMN1; SMN2
SCHEMBL30729659 0.80 HSD17B10 (0.62) HSD17B10KMT2AMEN1RXFP1SMN1; SMN2
SCHEMBL7051985 0.80 HSD17B10 (0.50) HSD17B10KMT2AMEN1RXFP1KCNK3
SCHEMBL12812735 0.79 HSD17B10 (0.61) HSD17B10KMT2AMEN1RXFP1SMN1; SMN2
SCHEMBL20152029 0.79 HSD17B10 (0.61) HSD17B10KMT2AMEN1RXFP1SMN1; SMN2
SCHEMBL26464127 0.79 HSD17B10 (0.61) HSD17B10KMT2AMEN1RXFP1SMN1; SMN2
SCHEMBL4820385 0.79 HSD17B10 (0.61) HSD17B10KMT2AMEN1RXFP1SMN1; SMN2
SCHEMBL4003494 0.79 HSD17B10 (0.61) HSD17B10KMT2AMEN1RXFP1SMN1; SMN2
SCHEMBL13255714 0.78 HSD17B10 (0.59) HSD17B10KMT2AMEN1RXFP1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663181-A Naphthyridine derivatives, their methods of preparation and pharmaceutical compositions in which they are present, useful especially as antiproliferative drugs LABORATOIRES UPSA (FR) 1997-09-02 US disclosed