SCHEMBL9385296

SCHEMBL9385296

COc1ccc(O)c2c1NC(=O)CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 1/20 0.43
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 2/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37

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
SCHEMBL7097075 0.86 KDM4E (0.50) ADRB3KDM4EALDH1A1HPGDGLA
SCHEMBL11378558 0.83 ADRB3 (0.41) ADRB3
SCHEMBL433879 0.82 KDM4E (0.42) ADRB3KDM4EALDH1A1HPGDGLA
SCHEMBL7091144 0.81 DRD2 (0.47) ADRB3KDM4E
SCHEMBL8921162 0.80 MAPT (0.43) ADRB3KDM4EALDH1A1HPGDGLA
SCHEMBL6579526 0.80 TSHR (0.41) ADRB3KDM4EALDH1A1HPGDGLA
SCHEMBL96786 0.78 ALDH1A1 (0.39) ADRB3KDM4EALDH1A1HPGDGLA
SCHEMBL96585 0.78 MAOA (0.39) ADRB3KDM4EALDH1A1HPGDGLA
SCHEMBL11384757 0.77 ADRB3 (0.37) ADRB3HPGDCYP3A4
SCHEMBL8920419 0.77 FLI1 (0.38) ADRB3KDM4EALDH1A1HPGDGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0467325-A2 Carbostyril derivatives SYNTEX (U.S.A.) INC. (US) 1992-01-22 EP claimed
WO-1994003425-A2 CARBOSTYRIL DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIA SYNTEX (U.S.A.) INC. (US) 1994-02-17 WO disclosed
EP-0467325-A2 Carbostyril derivatives SYNTEX (U.S.A.) INC. (US) 1992-01-22 EP disclosed
US-5082847-A Antiarrhythmia SYNTEX (U.S.A.) INC. (US) 1992-01-21 US disclosed
US-4072683-A BETA-ADRENERGIC BLOCKING AGENTS, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JA) 1978-02-07 US disclosed