SCHEMBL8923429

SCHEMBL8923429

O=C(O)c1[nH]cc(-c2cccc(Br)c2)c1N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.55
ALDH1A1 P00352 4/20 0.55
HPGD P15428 2/20 0.55
ALOX15 P16050 2/20 0.55
PRKDC P78527 2/20 0.44
LRRK2 Q5S007 5/20 0.43
STK4 Q13043 4/20 0.43
STK3 Q13188 4/20 0.43
TSHR P16473 2/20 0.43
CASP7 P55210 2/20 0.43
KMO O15229 1/20 0.40
ADK P55263 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
CASP1 P29466 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL8920563 0.86 ALDH1A1 (0.70) HSD17B10ALDH1A1HPGDALOX15PRKDC
SCHEMBL8922167 0.85 HSD17B10 (0.57) HSD17B10ALDH1A1HPGDALOX15PRKDC
SCHEMBL8922043 0.84 ALDH1A1 (0.67) HSD17B10ALDH1A1HPGDALOX15PRKDC
SCHEMBL8921302 0.83 ALDH1A1 (0.58) HSD17B10ALDH1A1HPGDALOX15PRKDC
SCHEMBL9858081 0.83 ALDH1A1 (0.47) HSD17B10ALDH1A1HPGDALOX15PRKDC
SCHEMBL8923375 0.78 ALDH1A1 (0.63) HSD17B10ALDH1A1HPGDALOX15LRRK2
SCHEMBL8923242 0.78 ALDH1A1 (0.57) HSD17B10ALDH1A1HPGDALOX15PRKDC
SCHEMBL8921644 0.78 ALDH1A1 (0.57) HSD17B10ALDH1A1HPGDALOX15PRKDC
SCHEMBL8921343 0.77 ALDH1A1 (0.53) HSD17B10ALDH1A1HPGDALOX15TSHR
SCHEMBL8921416 0.75 ALDH1A1 (0.59) HSD17B10ALDH1A1HPGDALOX15PRKDC

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
US-5684160-A 3-aminopyrroles, methods for their synthesis and for their pharmaceutical use ARZNEIMETTELWERK DRESDEN GMBH (DE) 1997-11-04 US claimed
US-5502051-A CENTRAL NERVOUS SYSTEM, ANTISPASMODIC ARZNEIMITTELWERK DRESDEN GMBH (DE) 1996-03-26 US claimed
EP-0431371-A1 3-Aminopyrroles, process for this preparation and their use as medicaments ARZNEIMITTELWERK DRESDEN GmbH (DE) 1991-06-12 EP claimed
US-5684160-A 3-aminopyrroles, methods for their synthesis and for their pharmaceutical use ARZNEIMETTELWERK DRESDEN GMBH (DE) 1997-11-04 US disclosed
US-5502051-A CENTRAL NERVOUS SYSTEM, ANTISPASMODIC ARZNEIMITTELWERK DRESDEN GMBH (DE) 1996-03-26 US disclosed