SCHEMBL7645545

SCHEMBL7645545

O=S(=O)(O)c1ccccc1N=C=S.[NaH]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
POLB P06746 1/20 0.60
RAD1 O60671 1/20 0.45
P2RY6 Q15077 1/20 0.45
CYP1A2 P05177 2/20 0.43
ABCB11 O95342 1/20 0.43
NR3C1 P04150 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ADRA2C P18825 1/20 0.43
MAOA P21397 1/20 0.43
DRD1 P21728 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR2B P41595 1/20 0.43
CCR2 P41597 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL1508924 0.98 ALDH1A1 (0.62) ALDH1A1POLBRAD1P2RY6CYP1A2
SCHEMBL29655855 0.98 ALDH1A1 (0.62) ALDH1A1POLBRAD1P2RY6CYP1A2
SCHEMBL6114392 0.84 ALDH1A1 (0.50) ALDH1A1POLBRAD1P2RY6CYP1A2
SCHEMBL11117613 0.82 ALDH1A1 (0.66) ALDH1A1POLBRAD1P2RY6CYP1A2
SCHEMBL5897520 0.82 ALDH1A1 (0.49) ALDH1A1POLBRAD1P2RY6CYP1A2
Sulfuric Acid SCHEMBL8443293 0.82 ALDH1A1 (0.55) ALDH1A1POLBRAD1P2RY6CYP1A2
SCHEMBL8678321 0.81 CYP3A4 (0.45) ALDH1A1POLBRAD1P2RY6CYP1A2
SCHEMBL28378340 0.81 ALDH1A1 (0.47) ALDH1A1POLBRAD1P2RY6CYP1A2
SCHEMBL3905753 0.80 CYP1A2 (0.52) ALDH1A1POLBRAD1P2RY6CYP1A2
SCHEMBL6192070 0.79 ALDH1A1 (0.62) ALDH1A1POLBCYP1A2ABCB11NR3C1

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
WO-2002060867-A2 CARBAZOLE DERIVATIVES AND THEIR USES AS HEPARANASE INHIBITORS INSIGHT STRATEGY AND MARKETING LTD (IL) 2002-08-08 WO disclosed