SCHEMBL8922256

SCHEMBL8922256

Cn1cc(-c2ccccc2)c(N2CCOCC2)c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.49
ALDH1A1 P00352 9/20 0.47
ALOX15 P16050 4/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 6/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
PIK3CD O00329 2/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CB P42338 2/20 0.41
PIK3CG P48736 2/20 0.41
PRKDC P78527 2/20 0.41
TP53 P04637 2/20 0.41
TSHR P16473 2/20 0.41
PDE2A O00408 1/20 0.41
PIK3C2A O00443 1/20 0.41
PIK3R2 O00459 1/20 0.41
PIK3C2B O00750 1/20 0.41

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
SCHEMBL8922352 0.90 ALDH1A1 (0.41) HSD17B10ALDH1A1ALOX15HPGDKDM4E
SCHEMBL8920356 0.88 AKR1C3 (0.40) HSD17B10ALDH1A1ALOX15HPGDKDM4E
SCHEMBL8923602 0.88 PIK3CA (0.42) ALDH1A1KDM4EMAPTSMN1; SMN2PIK3CD
SCHEMBL9857777 0.81 ALDH1A1 (0.47) HSD17B10ALDH1A1ALOX15HPGDKDM4E
SCHEMBL8922784 0.80 HSD17B10 (0.45) HSD17B10ALDH1A1ALOX15HPGDKDM4E
SCHEMBL8925211 0.77 ALDH1A1 (0.54) HSD17B10ALDH1A1ALOX15HPGDKDM4E
SCHEMBL8922826 0.73 ALDH1A1 (0.43) HSD17B10ALDH1A1ALOX15HPGDKDM4E
SCHEMBL8923374 0.73 ALDH1A1 (0.40) HSD17B10ALDH1A1ALOX15HPGDKDM4E
SCHEMBL1254367 0.71 BRD4 (0.47) ALDH1A1HPGDKDM4ESMN1; SMN2BRD4
SCHEMBL8920563 0.71 ALDH1A1 (0.70) HSD17B10ALDH1A1ALOX15HPGDKDM4E

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