SCHEMBL8317042

SCHEMBL8317042

CC(=C(C#N)C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.45
GABRG2 P18507 3/20 0.45
GABRB3 P28472 3/20 0.45
GABRB2 P47870 2/20 0.45
TSHR P16473 2/20 0.45
ALOX15 P16050 1/20 0.45
CYP19A1 P11511 1/20 0.43
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
SRD5A2 P31213 1/20 0.41
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
G6PD P11413 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
NPC1 O15118 2/20 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
SCHEMBL8317039 1.00 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL29119462 0.85 TSHR (0.46) TSHRALOX15SRD5A2KMT2ACA1
SCHEMBL15991618 0.84 ALDH1A1 (0.47) CYP19A1CES2SRD5A2CA1CA2
SCHEMBL15991621 0.84 ALDH1A1 (0.47) CYP19A1CES2SRD5A2CA1CA2
SCHEMBL9447416 0.84 ALDH1A1 (0.47) CES2CES1SRD5A2MEN1KMT2A
SCHEMBL9447417 0.84 ALDH1A1 (0.47) CES2CES1SRD5A2MEN1KMT2A
SCHEMBL2566020 0.83 ALDH1A1 (0.51) TSHRCYP19A1CES2CES1MEN1
SCHEMBL3289274 0.83 ALDH1A1 (0.51) TSHRCYP19A1CES2CES1MEN1
SCHEMBL2566022 0.83 ALDH1A1 (0.51) TSHRCYP19A1CES2CES1MEN1
SCHEMBL11640891 0.81 SMN1; SMN2 (0.53) ERCC5FEN1NPC1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5922716-A 5H-indeno 1,2-b!pyrazine-2,3-dione derivatives, their preparation and medicinal products containing them RHONE-POULENC RORER S.A. (FR) 1999-07-13 US disclosed
EP-0752988-B1 5H-INDENO[1,2-b]PYRAZINE-2,3-DIONE DERIVATIVES ANTAGONISTS OF AMPA AND NMDA RECEPTORS RHONE POULENC RORER SA (FR) 1999-05-26 EP disclosed
EP-0752988-A1 5H-INDENO[1,2-b]PYRAZINE-2,3-DIONE DERIVATIVES, PREPARATION THEREOF AND DRUGS CONTAINING SAME Aventis Pharma S.A. (FR) 1997-01-15 EP disclosed
WO-1995026342-A1 5H-INDENO[1,2-b]PYRAZINE-2,3-DIONE DERIVATIVES, PREPARATION THEREOF AND DRUGS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1995-10-05 WO disclosed