SCHEMBL8570782

SCHEMBL8570782

O=[N+]([O-])c1cnc2ccccc2c1S

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
ABCG2 Q9UNQ0 3/20 0.40
KDM4E B2RXH2 1/20 0.40
GPR3 P46089 1/20 0.40
CTSB P07858 1/20 0.40

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
SCHEMBL8561101 0.81 POLB (0.53) POLBMEN1KMT2ANCOA1NCOA3
SCHEMBL4727431 0.79 POLB (0.51) POLBMEN1KMT2ANCOA1NCOA3
SCHEMBL202663 0.79 POLB (0.51) POLBMEN1KMT2ANCOA1NCOA3
SCHEMBL15824026 0.79 POLB (0.51) POLBMEN1KMT2ANCOA1NCOA3
SCHEMBL1033969 0.79 POLB (0.51) POLBMEN1KMT2ANCOA1NCOA3
SCHEMBL29381779 0.79 POLB (0.51) POLBMEN1KMT2ANCOA1NCOA3
SCHEMBL202880 0.79 POLB (0.51) POLBMEN1KMT2ANCOA1NCOA3
SCHEMBL28058588 0.79 POLB (0.51) POLBMEN1KMT2ANCOA1NCOA3
Hydrochloric Acid SCHEMBL3867195 0.78 POLB (0.50) POLBMEN1KMT2ANCOA1NCOA3
SCHEMBL31197366 0.78 POLB (0.50) POLBMEN1KMT2ANCOA1NCOA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-88102436-A The preparation of quinolyl thioether and application thereof 1988-11-09 CN claimed
CN-88102417-A PHARMACEUTICAL COMPOSITION 1988-11-09 CN claimed
EP-0288072-A2 3-Amino-4-(ethylthio)-quinoline or its acid addition salts for use as medicament and medicament containing it EGIS GYOGYSZERGYAR (HU) 1988-10-26 EP claimed
EP-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed
US-4921861-A 3-AMINO-4-/ETHYLTHIO/QUINOLINE, AS ANXIOLYTIC AGENT AND NARCOSIS POTENTIATOR BASF AKTIENGESELLSCHAFT (DE) 1990-05-01 US disclosed
US-4921960-A ANXIOLYTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 1990-05-01 US disclosed
CN-88102417-A PHARMACEUTICAL COMPOSITION 1988-11-09 CN disclosed
CN-88102436-A The preparation of quinolyl thioether and application thereof 1988-11-09 CN disclosed
EP-0288072-A2 3-Amino-4-(ethylthio)-quinoline or its acid addition salts for use as medicament and medicament containing it EGIS GYOGYSZERGYAR (HU) 1988-10-26 EP disclosed