SCHEMBL7262117

SCHEMBL7262117

CC1N=C(c2ccc(C3=NC(C)C(c4ccccc4)O3)cc2)OC1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP1 O94782 2/20 0.41
WDR48 Q8TAF3 2/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.38
MMP9 P14780 4/20 0.37
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
MMP1 P03956 2/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
TSHR P16473 1/20 0.34
SLC6A2 P23975 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL3234437 0.96 USP1 (0.45) USP1WDR48ALDH1A1MAPTNPC1
SCHEMBL9790551 0.82 USP1 (0.44) USP1WDR48ALDH1A1MAPTNPC1
SCHEMBL8954473 0.82 MEN1 (0.49) USP1WDR48ALDH1A1MAPTNPC1
SCHEMBL8954542 0.82 MEN1 (0.49) USP1WDR48ALDH1A1MAPTNPC1
SCHEMBL918209 0.80 CYP2C19 (0.44) USP1WDR48RAB9ASMN1; SMN2CYP2C19
SCHEMBL918124 0.80 CYP2C19 (0.44) USP1WDR48RAB9ASMN1; SMN2CYP2C19
SCHEMBL14154785 0.80 CYP2C19 (0.44) USP1WDR48RAB9ASMN1; SMN2CYP2C19
SCHEMBL6386326 0.80 CYP2C19 (0.44) USP1WDR48RAB9ASMN1; SMN2CYP2C19
Hydrochloric Acid SCHEMBL7175688 0.78 CYP1A2 (0.46) USP1WDR48RAB9ASMN1; SMN2CYP2C19
Hydrochloric Acid SCHEMBL7176638 0.78 CYP1A2 (0.46) USP1WDR48RAB9ASMN1; SMN2CYP2C19

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
US-6653399-B2 Blend of polylactam and polydsaccharides; biodegradation DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-11-25 US disclosed
US-20020161110-A1 Water absorbent material DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-10-31 US disclosed
EP-1236507-A2 Water absorbent material comprising polysaccharide derivatives DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-09-04 EP disclosed