SCHEMBL8328257

SCHEMBL8328257

Cc1ccccc1C(=S)CBr

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
HPGD P15428 4/20 0.38
TSHR P16473 1/20 0.38
ACHE P22303 1/20 0.38
ALDH1A1 P00352 4/20 0.37
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALOX12 P18054 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL29669998 0.74 ERCC5 (0.58) ERCC5FEN1HPGDKMT2ANPC1
SCHEMBL168885 0.74 ERCC5 (0.58) ERCC5FEN1HPGDKMT2ANPC1
SCHEMBL8256708 0.74 TSHR (0.47) ERCC5FEN1MAOAMAOBHPGD
SCHEMBL5565924 0.72 ERCC5 (0.52) ERCC5FEN1HPGDTSHRSMN1; SMN2
SCHEMBL3972685 0.72 TSHR (0.45) ERCC5FEN1MAOAMAOBHPGD
SCHEMBL31135508 0.72 HPGD (0.47) ERCC5FEN1MAOAMAOBHPGD
SCHEMBL1029641 0.72 HPGD (0.47) ERCC5FEN1MAOAMAOBHPGD
SCHEMBL10544754 0.71 ERCC5 (0.46) ERCC5FEN1HPGDALDH1A1POLB
SCHEMBL434113 0.71 DRD4 (0.42) ERCC5FEN1MAOAMAOBHPGD
Hydrochloric Acid SCHEMBL10333053 0.70 MAOA (0.47) ERCC5FEN1MAOAMAOBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0509974-B1 Pyrrolo[2,3-b]pyridines having therapeutic activity and a process for the preparation thereof ASTRA AB (SE) 1999-01-13 EP disclosed
US-5439917-A Phenyl-pyrrolo(2,3-b)pyridine antisecretory agent of gastric acid; adenosine triphosphatase enzyme inhibitor AKTIEBOLAGET ASTRA (SE) 1995-08-08 US disclosed
EP-0580616-A1 NEW ACTIVE COMPOUNDS Astra Aktiebolag (SE) 1994-02-02 EP disclosed
EP-0509974-A1 Pyrrolo[2,3-b]pyridines having therapeutic activity and a process for the preparation thereof Astra Aktiebolag (SE) 1992-10-21 EP disclosed
WO-1992017477-A1 NEW ACTIVE COMPOUNDS AKTIEBOLAGET ASTRA (SE) 1992-10-15 WO disclosed