SCHEMBL9819954

SCHEMBL9819954

Nc1nnc(SCCCCc2ccccc2)s1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
GRIN2B Q13224 2/20 0.56
GRIN2A Q12879 1/20 0.56
ATM Q13315 1/20 0.51
GLS O94925 3/20 0.51
HSD17B10 Q99714 1/20 0.50
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 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
SCHEMBL3911743 0.91 ALDH1A1 (0.63) ALDH1A1MEN1KMT2ATDP1L3MBTL1
Hydrochloric Acid SCHEMBL7327104 0.81 GRIN2B (0.71) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL3902195 0.79 ALDH1A1 (0.84) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL3906094 0.79 MAPK1 (0.62) ALDH1A1MEN1KMT2ATDP1L3MBTL1
Hydrochloric Acid SCHEMBL7322213 0.75 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL15362563 0.74 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL11228856 0.73 ALDH1A1 (0.66) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL6963770 0.72 ALDH1A1 (0.70) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL4399146 0.72 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL16378590 0.72 ALDH1A1 (0.70) ALDH1A1MEN1KMT2ATDP1L3MBTL1

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-4987132-A PLATELET ACTIVATING FACTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 US disclosed
EP-0279681-A2 Saturated heterocyclic carboxamide derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-08-24 EP disclosed