SCHEMBL10830093

SCHEMBL10830093

CCCN(CCNS(C)(=O)=O)c1ccc(N)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ S100B P04271 1/20 0.53
▸ IGLV6-57 P01721 1/20 0.35
▸ SKP2 Q13309 1/20 0.35
▸ CNR2 P34972 2/20 0.34
▸ S1PR1 P21453 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ MAPT P10636 1/20 0.33
▸ AR P10275 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ GRK2 P25098 1/20 0.32
▸ DNMT1 P26358 1/20 0.32
▸ CTDSP1 Q9GZU7 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ ESRRG P62508 1/20 0.32
▸ CNR1 P21554 1/20 0.31

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
SCHEMBL2157605 0.90 S100B (0.62) S100BIGLV6-57CNR2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL8744829 0.89 S100B (0.60) S100BIGLV6-57CNR2ALDH1A1MAPT
Water SCHEMBL9381945 0.89 S100B (0.60) S100BIGLV6-57CNR2ALDH1A1MAPT
SCHEMBL13942746 0.89 S100B (0.37) S100BIGLV6-57CNR2S1PR1ALDH1A1
Sulfuric Acid SCHEMBL10900457 0.87 S100B (0.57) S100BIGLV6-57ALDH1A1MAPTPOLB
Sulfuric Acid SCHEMBL6479893 0.87 S100B (0.57) S100BIGLV6-57ALDH1A1MAPTPOLB
Sulfuric Acid SCHEMBL4912919 0.87 S100B (0.57) S100BIGLV6-57ALDH1A1MAPTPOLB
Sulfuric Acid SCHEMBL5809892 0.86 S100B (0.56) S100BIGLV6-57ALDH1A1MAPTPOLB
Sulfuric Acid SCHEMBL2138908 0.86 S100B (0.56) S100BIGLV6-57ALDH1A1MAPTPOLB
SCHEMBL8770564 0.85 S100B (0.55) S100BCNR2S1PR1ALDH1A1MAPT

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-4568752-A Recording material for color photography CIBA-GEIGY AG (CH) 1986-02-04 — — US disclosed
US-4238564-A YELLOW COUPLERS CIBA-GEIGY AKTIENGESELLSCHAFT (CH) 1980-12-09 — — US disclosed
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