SCHEMBL29129476

SCHEMBL29129476

O=Cc1ccc(-c2nc(Cl)nc(Cl)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 8/20 0.44
MAPT P10636 2/20 0.44
TYR P14679 1/20 0.39
POLB P06746 2/20 0.38
CASP6 P55212 1/20 0.38
CYP2A6 P11509 4/20 0.38
ALDH5A1 P51649 1/20 0.38
ABAT P80404 1/20 0.38
BRD4 O60885 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
DRD1 P21728 1/20 0.36
KCNJ1 P48048 1/20 0.36
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2A13 Q16696 1/20 0.34

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
SCHEMBL23637787 0.84 ALDH1A1 (0.46) HSD17B10ALDH1A1MAPTTYRCYP2A6
SCHEMBL30488661 0.82 DRD1 (0.45) HSD17B10ALDH1A1MAPTTYRCYP2A6
SCHEMBL10499250 0.82 HSD17B10 (0.46) HSD17B10ALDH1A1MAPTTYRPOLB
SCHEMBL4308177 0.79 NPC1 (0.36) HSD17B10ALDH1A1MAPTNPC1RAB9A
SCHEMBL4301162 0.79 ALDH1A1 (0.46) HSD17B10ALDH1A1MAPTNPC1RAB9A
SCHEMBL26091984 0.77 ALDH1A1 (0.57) HSD17B10ALDH1A1MAPTCYP2A6ALDH5A1
SCHEMBL11549916 0.77 ALDH1A1 (0.57) ALDH1A1MAPTTYRPOLBCYP2A6
SCHEMBL23288289 0.75 ALDH1A1 (0.46) HSD17B10ALDH1A1MAPTNPC1RAB9A
SCHEMBL11400612 0.75 NPC1 (0.60) ALDH1A1MAPTCYP2A6NPC1RAB9A
SCHEMBL9871236 0.75 HSD17B10 (0.39) HSD17B10ALDH1A1MAPTTYRCYP2A6

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
CN-115787295-A Fragrant fabric and preparation method thereof 常熟市亚细亚纺织装饰有限公司 2023-03-14 CN claimed
CN-115787295-A Fragrant fabric and preparation method thereof 常熟市亚细亚纺织装饰有限公司 2023-03-14 CN disclosed
CN-115787295-A Fragrant fabric and preparation method thereof 常熟市亚细亚纺织装饰有限公司 2023-03-14 CN disclosed