SCHEMBL10929981

SCHEMBL10929981

O=C1CCSC(c2ccccc2Cl)c2cc(Cl)ccc2N1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.77
TP53 P04637 4/20 0.77
RECQL P46063 2/20 0.77
CYP1A2 P05177 1/20 0.77
CYP2C9 P11712 1/20 0.77
ALOX15 P16050 1/20 0.77
TSHR P16473 1/20 0.77
CASP1 P29466 1/20 0.77
CYP2C19 P33261 1/20 0.77
SLC8B1 Q6J4K2 1/20 0.77
SMN1; SMN2 Q16637 1/20 0.41
ATM Q13315 1/20 0.41
GABRP O00591 2/20 0.40
GABRD O14764 2/20 0.40
GABRA1 P14867 2/20 0.40
GABRB1 P18505 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40

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
SCHEMBL10926019 0.88 MAPT (0.60) MAPTTP53RECQLCYP1A2CYP2C9
SCHEMBL869274 0.87 TP53 (1.00) MAPTTP53RECQLCYP1A2CYP2C9
SCHEMBL31071906 0.87 TP53 (1.00) MAPTTP53RECQLCYP1A2CYP2C9
SCHEMBL10929004 0.84 MAPT (0.56) MAPTTP53RECQLCYP1A2CYP2C9
SCHEMBL7196864 0.79 MAPT (0.61) MAPTTP53RECQLCYP1A2CYP2C9
SCHEMBL8117192 0.78 MAPT (0.60) MAPTTP53RECQLCYP1A2CYP2C9
SCHEMBL11080868 0.77 MAPT (0.50) MAPTTP53RECQLCYP1A2CYP2C9
SCHEMBL10044117 0.76 TP53 (0.79) MAPTTP53RECQLCYP1A2CYP2C9
SCHEMBL11085842 0.74 MAPT (0.55) MAPTTP53RECQLCYP1A2CYP2C9
SCHEMBL27729482 0.72 TP53 (0.47) MAPTTP53RECQLCYP1A2CYP2C9

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
US-4446142-A HYPOTENSIVE AGENTS BEIERSDORF AKTIENGESELLSCHAFT (DE) 1984-05-01 US claimed
EP-0072029-B1 TRIAZOLOBENZAZEPINES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1986-10-22 EP disclosed
US-4464300-A PSYCHOTROPIC, ANXIOLYTIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1984-08-07 US disclosed
US-4446142-A HYPOTENSIVE AGENTS BEIERSDORF AKTIENGESELLSCHAFT (DE) 1984-05-01 US disclosed
EP-0072029-A2 Triazolobenzazepines, process and intermediates for their preparation and medicines containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-02-16 EP disclosed