SCHEMBL7312792

SCHEMBL7312792

O=C(N1CCOCC1)n1c(=O)ccc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 6/20 0.50
▸ HTT P42858 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ TSHR P16473 1/20 0.47
▸ RAB9A P51151 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ BCHE P06276 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL7326245 0.82 SIGMAR1 (0.44) TSHRPOLB
SCHEMBL10662835 0.81 CA12 (0.53) TSHRRAB9ALMNAALDH1A1KMT2A
SCHEMBL19380612 0.73 IDO1 (0.54) AKR1C3HTTCYP2C9CYP2C19TSHR
SCHEMBL3500363 0.73 CA12 (0.46) AKR1C3TSHRRAB9ALMNAGAA
SCHEMBL6581393 0.72 CA12 (0.52) TSHRRAB9ALMNAALDH1A1KMT2A
SCHEMBL6568800 0.71 CA12 (0.55) TSHRRAB9ALMNAGAAHPGD
SCHEMBL30672091 0.71 CA12 (0.55) TSHRRAB9ALMNAGAAHPGD
SCHEMBL6195893 0.69 RAB9A (0.56) HTTTSHRRAB9ALMNAGAA
SCHEMBL30804587 0.69 RAB9A (0.56) HTTTSHRRAB9ALMNAGAA
SCHEMBL31563193 0.68 CREBBP (0.45) AKR1C3HTTCYP2C9CYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0202760-A2 Carbostyril derivatives and salts thereof, processes for preparing the same and cardiotonic composition containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-11-26 — — EP claimed
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