SCHEMBL27417482

SCHEMBL27417482

CSc1nnsc1C(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TSHR P16473 1/20 0.40
CCNA2 P20248 3/20 0.39
CDK2 P24941 3/20 0.39
CHRM4 P08173 1/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
USP2 O75604 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ALOX12 P18054 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL6967486 0.80 LMNA (0.61) GAALMNAALDH1A1MAPTNPC1
SCHEMBL9237205 0.67 ALDH1A1 (0.48) KDM4EGAALMNANPSR1ALDH1A1
SCHEMBL2149065 0.64 ALDH1A1 (0.61) LMNANPSR1ALDH1A1MAPTNPC1
Benzophenone SCHEMBL7454682 0.63 ALDH1A1 (0.88) LMNAALDH1A1MAPTNPC1RAB9A
Benzophenone SCHEMBL30537001 0.62 ALDH1A1 (1.00) GAALMNAALDH1A1MAPTNPC1
Benzophenone SCHEMBL28491203 0.62 ALDH1A1 (1.00) GAALMNAALDH1A1MAPTNPC1
Benzophenone SCHEMBL1074283 0.62 ALDH1A1 (1.00) GAALMNAALDH1A1MAPTNPC1
Benzophenone SCHEMBL30536983 0.62 ALDH1A1 (1.00) GAALMNAALDH1A1MAPTNPC1
Benzophenone SCHEMBL6061130 0.62 ALDH1A1 (1.00) GAALMNAALDH1A1MAPTNPC1
Benzophenone SCHEMBL28180817 0.62 ALDH1A1 (1.00) GAALMNAALDH1A1MAPTNPC1

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
CN-1116425-A New cephem compounds FUJISAWA PHARMACEUTICAL CO (JP) 1996-02-07 CN disclosed