SCHEMBL7870880

SCHEMBL7870880

CCN(CC)c1ccc2c(c1)Cc1cc3ccccc3cc1-2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.50
CYP3A4 P08684 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
TERT O14746 1/20 0.41
CYP19A1 P11511 1/20 0.40
ALDH1A1 P00352 6/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 3/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
GAA P10253 2/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL7870876 0.92 HSD17B10 (0.44) HSD17B10CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL4894950 0.87 CYP3A4 (0.53) HSD17B10CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL3419436 0.85 CYP1A2 (0.66) HSD17B10CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL30194823 0.82 HSD17B10 (0.57) HSD17B10CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL10343906 0.81 S100B (0.46) HSD17B10CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL6437847 0.80 HSD17B10 (0.43) HSD17B10CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL11642082 0.80 CYP2C19 (0.49) HSD17B10CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL11646164 0.80 HSD17B10 (0.49) HSD17B10CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL29385647 0.79 ALDH1A1 (0.49) HSD17B10CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL4897902 0.79 ALDH1A1 (0.49) HSD17B10CYP3A4CYP1A2CYP2D6CYP2C9

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
US-6303540-B1 CONTAINING DIPHENYLSULFONE BRIDGEABLE TYPE COMPOUND AND SULFONAMIDE COMPOUND NIPPON PAPER INDUSTRIES CO LTD (JP) 2001-10-16 US disclosed