SCHEMBL8637429

SCHEMBL8637429

C#Cc1ccccc1S(=O)(=O)c1ccccc1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
LMNA P02545 1/20 0.45
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
F2 P00734 2/20 0.37
PRSS1 P07477 2/20 0.37
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 0.37
GAA P10253 2/20 0.37
METAP2 P50579 1/20 0.37
BCAT2 O15382 1/20 0.36
CA1 P00915 3/20 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
SCHEMBL29629450 0.79 NPC1 (0.58) POLBLMNANPC1RAB9AALDH1A1
SCHEMBL3468799 0.79 NPC1 (0.58) POLBLMNANPC1RAB9AALDH1A1
SCHEMBL3641319 0.75 ALDH1A1 (0.45) POLBLMNAALDH1A1KDM4EHTR2A
SCHEMBL364480 0.74 HTR6 (0.55) POLBALDH1A1KDM4EHTR2AHTR2C
SCHEMBL15611235 0.74 NPC1 (0.53) NPC1RAB9AALDH1A1KDM4EMAPT
Formic Acid SCHEMBL5393355 0.73 NPC1 (0.51) POLBLMNANPC1RAB9AALDH1A1
SCHEMBL30606406 0.73 BCAT2 (0.53) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL8997308 0.72 BCAT2 (0.62) NPC1RAB9AALDH1A1KDM4EHTR2A
SCHEMBL2746856 0.72 HTR6 (0.52) POLBLMNAALDH1A1KDM4EHPGD
SCHEMBL2468180 0.71 CA2 (0.58) CA1CA2CA9CA5A

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
EP-0748312-B1 BICYCLIC CARBAMATES AS LEUKOTRIENE D4 ANTAGONISTS PFIZER (US) 1998-07-22 EP claimed
EP-0748312-B1 BICYCLIC CARBAMATES AS LEUKOTRIENE D4 ANTAGONISTS PFIZER (US) 1998-07-22 EP disclosed