SCHEMBL9170969

SCHEMBL9170969

O=C1CCc2cc(C(=O)CSc3nccn3-c3ccccc3)ccc2N1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ POLB P06746 1/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ CYP2D6 P10635 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ TSHR P16473 1/20 0.49
▸ HTR1A P08908 1/20 0.48
▸ DRD4 P21917 1/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ HTR7 P34969 1/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ TP53 P04637 1/20 0.46
▸ PKM P14618 1/20 0.45
▸ GRIN2B Q13224 1/20 0.45
▸ CRBN Q96SW2 2/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44

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
SCHEMBL9170234 0.88 ALDH1A1 (0.46) ALDH1A1KMT2APOLBMEN1CYP1A2
SCHEMBL9170241 0.88 ALDH1A1 (0.46) ALDH1A1KMT2APOLBMEN1CYP1A2
SCHEMBL9169224 0.80 HTR1A (0.47) HTR1ADRD4HTR2AHTR7DRD3
SCHEMBL9171135 0.80 TBXAS1 (0.47) ALDH1A1KMT2APOLBMEN1CYP1A2
SCHEMBL9167178 0.79 HTR1A (0.47) HTR1ADRD4HTR2AHTR7DRD3
SCHEMBL15427006 0.79 EPHX2 (0.62) KMT2AMEN1HTR1ADRD4HTR2A
SCHEMBL9170956 0.77 HTR1A (0.45) HTR1ADRD4HTR2AHTR7DRD3
SCHEMBL24943935 0.74 ALDH1A1 (1.00) ALDH1A1KMT2APOLBMEN1CYP1A2
SCHEMBL24943936 0.74 ALDH1A1 (1.00) ALDH1A1KMT2APOLBMEN1CYP1A2
SCHEMBL24943937 0.74 ALDH1A1 (1.00) ALDH1A1KMT2APOLBMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0240015-B1 Carbostyril derivatives, process for preparing them, pharmaceutical composition, and use OTSUKA PHARMA CO LTD (JP) 1994-12-28 — — EP claimed
US-5008274-A Carbostyril derivatives and salts thereof and pharmaceutical composition for inhibiting adhesion of thrombocytes OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-04-16 — — US claimed
EP-0240015-A2 Carbostyril derivatives, process for preparing them, pharmaceutical composition, and use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-10-07 — — EP claimed
US-5434164-A Carbostyril derivatives and salts thereof and pharmaceutical compositions for inhibiting adhesion of thrombocytes OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1995-07-18 — — US disclosed
EP-0240015-B1 Carbostyril derivatives, process for preparing them, pharmaceutical composition, and use OTSUKA PHARMA CO LTD (JP) 1994-12-28 — — EP disclosed
US-5008274-A Carbostyril derivatives and salts thereof and pharmaceutical composition for inhibiting adhesion of thrombocytes OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-04-16 — — US disclosed
EP-0240015-A2 Carbostyril derivatives, process for preparing them, pharmaceutical composition, and use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-10-07 — — EP disclosed
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