SCHEMBL8627202

SCHEMBL8627202

CN1C(=O)Cc2cc(CBr)cnc21

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
CYP11B2 P19099 2/20 0.34
USP1 O94782 2/20 0.33
BMPR1B O00238 4/20 0.33
BMPR1A P36894 4/20 0.33
ACVRL1 P37023 4/20 0.33
ACVR1 Q04771 4/20 0.33
TRIM24 O15164 1/20 0.33
IDH1 O75874 1/20 0.32
CDC25A P30304 1/20 0.32
CDC25B P30305 1/20 0.32
CDC25C P30307 1/20 0.32
DUSP3 P51452 1/20 0.32
PKM P14618 1/20 0.32
TGFBR1 P36897 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL8630513 0.80 GSK3B (0.33) ALDH1A1CYP11B2BMPR1BBMPR1AACVRL1
SCHEMBL8627908 0.80 ALDH1A1 (0.41) ALDH1A1TSHRUSP1PKM
SCHEMBL8137963 0.79 HSD17B10 (0.41) CYP11B2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL8629038 0.77 CYP11B2 (0.36) CYP11B2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL30661603 0.76 CYP11B2 (0.36) CYP11B2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL26621580 0.76 CYP11B2 (0.36) CYP11B2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL11922155 0.73 KDM4E (0.36) CYP11B2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL27071821 0.73 ACVRL1 (0.38) CYP11B2USP1BMPR1BBMPR1AACVRL1
SCHEMBL8630032 0.72 MAPT (0.38) CYP11B2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL18422666 0.72 LMNA (0.35) ALDH1A1CYP11B2BMPR1BBMPR1AACVRL1

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
US-5767128-A ANALGESICS ADIR ET COMPAGNIE (FR) 1998-06-16 US disclosed
US-5618819-A ANALGESICS ADIR ET COMPAGNIE (FR) 1997-04-08 US disclosed
EP-0691339-A1 Amine derivatives of 1,3-dihydro-2H-pyrrolo(2,3-b)pyridin-2-ones and oxazolo(4,5-b)pyridin-2(3H)-ones, their process of preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-01-10 EP disclosed