SCHEMBL9797365

SCHEMBL9797365

N#Cc1ccccc1C(=O)c1ccc(S)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIG1 P18858 1/20 0.41
AKR1C3 P42330 3/20 0.40
POLB P06746 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HSD11B1 P28845 1/20 0.40
CDC25B P30305 2/20 0.40
ATM Q13315 2/20 0.40
NR4A1 P22736 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 2/20 0.38
PPIA P62937 1/20 0.38
LMNA P02545 1/20 0.36
CDC25A P30304 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HSP90AA1 P07900 1/20 0.36
PKM P14618 1/20 0.36
CCR6 P51684 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL1200740 0.85 AKR1C3 (0.55) AKR1C3POLBNPSR1CDC25BATM
SCHEMBL9798109 0.84 LIG1 (0.59) LIG1AKR1C3POLBNPSR1HSD11B1
SCHEMBL9589641 0.83 AKR1C3 (0.59) AKR1C3POLBGAAMAPTALDH1A1
SCHEMBL2913776 0.81 ALDH1A1 (0.45) POLBNPSR1HSD11B1GAAMAPT
SCHEMBL9856394 0.81 AKR1C3 (0.41) LIG1AKR1C3POLBNPSR1HSD11B1
SCHEMBL27846222 0.79 KMT2A (0.60) POLBNPSR1GAAMAPTALDH1A1
SCHEMBL9575703 0.79 MAPT (0.48) POLBNPSR1HSD11B1GAAMAPT
SCHEMBL15025001 0.77 CES2 (0.52) LIG1AKR1C3CDC25BATMNR4A1
SCHEMBL29238039 0.76 MAPT (0.54) LIG1AKR1C3CDC25BATMNR4A1
SCHEMBL9404648 0.74 CA1 (0.44) POLBHSD11B1GAAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4996347-A Anticoagulant FOURNIER INNOVATION ET SYNERGIE (FR) 1991-02-26 US disclosed
US-4877808-A ANTITHROMBOTICS FOURNIER INNOVATION ET SYNERGIE (FR) 1989-10-31 US disclosed