SCHEMBL11082147

SCHEMBL11082147

Cc1ccccc1-c1ccc(Cl)cc1C(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.54
CYP2C9 P11712 1/20 0.54
MAPT P10636 3/20 0.51
HTT P42858 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MITF O75030 1/20 0.50
HSP90AA1 P07900 1/20 0.50
ATM Q13315 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TLR9 Q9NR96 1/20 0.50
LMNA P02545 2/20 0.49
GABRP O00591 1/20 0.49
GABRD O14764 1/20 0.49
GABRA1 P14867 1/20 0.49
GABRB1 P18505 1/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA5 P31644 1/20 0.49
GABRA3 P34903 1/20 0.49
GABRA2 P47869 1/20 0.49

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
SCHEMBL11080302 0.85 EIF4E (0.52) ALDH1A1HSP90AA1SMN1; SMN2NR4A1TP53
SCHEMBL11681422 0.83 HTT (0.55) MAPTHTTALDH1A1MITFHSP90AA1
SCHEMBL28116434 0.83 AKR1C3 (0.53) CYP2C8CYP2C9MAPTALDH1A1NPSR1
SCHEMBL28758089 0.80 NR4A1 (0.56) MAPTHTTALDH1A1MITFHSP90AA1
SCHEMBL1712775 0.79 MYC (0.54) ALDH1A1HSP90AA1SMN1; SMN2NR4A1TP53
SCHEMBL28533540 0.79 RECQL (0.50) MAPTALDH1A1HSP90AA1GABRPGABRD
SCHEMBL28157462 0.78 NR4A1 (0.61) CYP2C8CYP2C9MAPTHTTALDH1A1
SCHEMBL11076174 0.78 CYP2C8 (0.50) CYP2C8CYP2C9MAPTHTTALDH1A1
SCHEMBL12603660 0.78 MAPT (0.58) CYP2C8CYP2C9MAPTHTTALDH1A1
SCHEMBL8387764 0.78 MYC (0.53) ALDH1A1SMN1; SMN2NR4A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4434100-A TRANQUILIZING, ANTICONVULSANTS, ANXIOLYTIC CIBA-GEIGY CORPORATION (US) 1984-02-28 US disclosed
US-4356176-A TRANQUILIZERS, ANTICONVULSANT CIBA-GEIGY CORPORATION (US) 1982-10-26 US disclosed
US-4315926-A ANXIOLYTIC AGENTS CIBA-GEIGY CORPORATION (US) 1982-02-16 US disclosed