SCHEMBL9868752

SCHEMBL9868752

NCC(=O)c1cccc(Sc2ccccn2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
KMT2A Q03164 5/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 4/20 0.43
MEN1 O00255 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
RAB9A P51151 3/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.42
GRM5 P41594 4/20 0.41
LMNA P02545 1/20 0.41
GCK P35557 1/20 0.40
ICAM1 P05362 1/20 0.40
SELE P16581 1/20 0.40
VCAM1 P19320 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL1002444 0.84 ALDH1A1 (0.54) ALDH1A1KMT2AMAPTMEN1L3MBTL1
SCHEMBL999887 0.79 RAB9A (0.51) ALDH1A1KMT2AMAPTNPC1MEN1
SCHEMBL10622680 0.72 PRMT1 (0.49) KMT2AMAPTMEN1RAB9AHPGD
Methyl Alcohol SCHEMBL11273876 0.70 L3MBTL1 (0.66) ALDH1A1KMT2AMAPTNPC1MEN1
SCHEMBL28241633 0.70 TDP1 (0.46) ALDH1A1KMT2AMAPTNPC1MEN1
SCHEMBL15271256 0.70 GRM5 (0.62) ALDH1A1KMT2AMAPTMEN1L3MBTL1
SCHEMBL27721118 0.70 GRM5 (0.62) ALDH1A1KMT2AMAPTNPC1MEN1
SCHEMBL2225278 0.70 L3MBTL1 (0.70) ALDH1A1KMT2AMAPTNPC1MEN1
SCHEMBL11864763 0.70 L3MBTL1 (0.64) ALDH1A1KMT2AMAPTNPC1MEN1
SCHEMBL30634505 0.70 L3MBTL1 (0.70) ALDH1A1KMT2AMAPTNPC1MEN1

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-5034417-A Antiinflammatory agents or analgesics FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-07-23 US disclosed