SCHEMBL8970500

SCHEMBL8970500

CCOP(=O)(CCCNC(=O)Nc1cccc(-c2c(S)nnn2C)c1)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
CDK8 P49336 1/20 0.39
CCR3 P51677 4/20 0.38
EPHX1 P07099 4/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
CYP2D6 P10635 1/20 0.37
EPHX2 P34913 2/20 0.37
PKM P14618 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDE5A O76074 1/20 0.37
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE1C Q14123 1/20 0.37
PDE3A Q14432 1/20 0.37
MAPT P10636 2/20 0.36
FGFR3 P22607 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL8971630 0.88 CCR3 (0.41) TP53CDK8CCR3EPHX1DRD2
SCHEMBL8970523 0.74 MAPK14 (0.37) CCR3CYP2D6MAPTFGFR3ALDH1A1
SCHEMBL8971107 0.74 SMN1; SMN2 (0.50) TP53HSD17B10MAPTALDH1A1
SCHEMBL8971094 0.70 CYP1A2 (0.51) MAPTALDH1A1HTTFAAH
SCHEMBL15601859 0.69 SMN1; SMN2 (0.48) EPHX1MAPTALDH1A1HPGD
SCHEMBL4605215 0.67 CCR3 (0.60) CCR3CYP2D6
SCHEMBL15592341 0.67 FPR2 (0.50) EPHX1MAPTITGB3ITGAV
SCHEMBL11699860 0.63 KMT2A (0.56) MAPTALDH1A1HPGDHTT
SCHEMBL15601808 0.62 MAPT (0.47) EPHX1MAPTALDH1A1HPGD
SCHEMBL13924978 0.61 EPHX1 (0.51) EPHX1EPHX2MAPTALDH1A1HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0426112-B1 Silver halide photographic material FUJI PHOTO FILM CO LTD (JP) 1996-02-28 EP disclosed
US-5151357-A Light sensitive elements with phosphonate groups FUJI PHOTO FILM CO., LTD. (JP) 1992-09-29 US disclosed
EP-0426112-A1 Silver halide photographic material FUJI PHOTO FILM CO., LTD. (JP) 1991-05-08 EP disclosed