SCHEMBL9834583

SCHEMBL9834583

CSc1nc2cc3c(cc2[nH]1)NC(=O)C3C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.42
OPRL1 P41146 1/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
TTR P02766 1/20 0.36
HSP90AA1 P07900 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PGR P06401 2/20 0.35
PRKAG1 P54619 2/20 0.33
PRKAA2 P54646 2/20 0.33
PRKAB1 Q9Y478 2/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PKM P14618 1/20 0.32
BMPR1B O00238 1/20 0.32
BMPR1A P36894 1/20 0.32

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
SCHEMBL9835004 0.83 HPGD (0.40) HPGDSMN1; SMN2ALDH1A1OPRL1MAPT
SCHEMBL9835975 0.81 CHRNB2 (0.46) HPGDSMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL9833156 0.80 FABP6 (0.46) ALDH1A1MEN1KMT2APGRBMPR1B
SCHEMBL9835065 0.80 PGR (0.36) PGRBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL9834375 0.80 PGR (0.36) PGRBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL9836111 0.78 HSD17B10 (0.47) HPGDALDH1A1PGRHSD17B10BMPR1B
SCHEMBL10477754 0.77 NPBWR1 (0.46) HPGDSMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL9833811 0.77 KDM4E (0.48) HPGDSMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL10470299 0.76 PDE3B (0.55) HPGDSMN1; SMN2ALDH1A1MAPTHSD17B10
SCHEMBL10566128 0.76 PDE3B (0.34) PGRBMPR1BBMPR1ATGFBR1ACVRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0214592-B1 PYRROLOBENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE PRODUCTS Roche Diagnostics GmbH (DE) 1991-08-14 EP disclosed
US-4730003-A Tricyclic compounds for treating heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1988-03-08 US disclosed
EP-0214592-A2 Pyrrolobenzimidazoles, process for their preparation and medicaments containing these products Roche Diagnostics GmbH (DE) 1987-03-18 EP disclosed