Sugi Predict

Sugi Predict / Compounds / SCHEMBL588062

SCHEMBL588062

SCHEMBL588062

Nc1cc(Cl)ccc1CC=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.48
▸ TSHR P16473 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ ALOX15 P16050 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ TP53 P04637 1/20 0.46
▸ ATP4A P20648 1/20 0.44
▸ ATP4B P51164 1/20 0.44
▸ MAPK1 P28482 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ IDO1 P14902 4/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36

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
SCHEMBL4647358 0.86 CYP3A4 (0.46) CYP3A4TSHRALDH1A1SMN1; SMN2ALOX15
SCHEMBL4589688 0.83 IDO1 (0.40) CYP3A4TSHRSMN1; SMN2ALOX15TDP1
SCHEMBL29439097 0.81 IDO1 (0.54) CYP3A4SMN1; SMN2TDP1TP53MAPK1
SCHEMBL895205 0.81 IDO1 (0.54) CYP3A4SMN1; SMN2TDP1TP53MAPK1
SCHEMBL358331 0.80 CYP3A4 (0.54) CYP3A4TSHRALDH1A1SMN1; SMN2ALOX15
SCHEMBL29758099 0.80 CYP3A4 (0.54) CYP3A4TSHRALDH1A1SMN1; SMN2ALOX15
SCHEMBL14420025 0.80 TSHR (0.41) CYP3A4TSHRALDH1A1SMN1; SMN2ALOX15
SCHEMBL15358717 0.78 CASP1 (0.39) CYP3A4TSHRALDH1A1SMN1; SMN2ALOX15
SCHEMBL9629784 0.78 SMN1; SMN2 (0.56) CYP3A4TSHRALDH1A1SMN1; SMN2ALOX15
SCHEMBL11778076 0.78 CYP3A4 (0.56) CYP3A4TSHRALDH1A1SMN1; SMN2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023161782-A1 NOVEL BICYCLIC COMPOUNDS AS RAD51 INHIBITORS SATYARX PHARMA INNOVATIONS PVT LTD (IN) 2023-08-31 — — WO disclosed
EP-2694480-A1 ADAMANTYL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2014-02-12 — — EP disclosed
WO-2012136684-A1 ADAMANTYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-10-11 — — WO disclosed
EP-2417111-A1 SUBSTITUTED 1-ALKYLCINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION OF SAME SANOFI (FR) 2012-02-15 — — EP disclosed
WO-2010116084-A1 SUBSTITUTED 1-ALKYLCINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION OF SAME SANOFI-AVENTIS (FR) 2010-10-14 — — WO disclosed
EP-2148862-A1 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK F. Hoffmann-Roche AG (CH) 2010-02-03 — — EP disclosed
WO-2009015917-A2 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 — — WO disclosed
WO-2008138920-A1 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK F. HOFFMANN-LA ROCHE AG (CH) 2008-11-20 — — WO disclosed
EP-1740591-A1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2007-01-10 — — EP disclosed
WO-2005097800-A1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2005-10-20 — — WO disclosed
EP-0760819-A1 TRICYCLIC DICARBONYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-03-12 — — EP disclosed
WO-1995032205-A1 TRICYCLIC DICARBONYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1995-11-30 — — WO disclosed