SCHEMBL9399710

SCHEMBL9399710

C=CCc1cc([S])cc(CC=C)c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.38
GABRB2 P47870 3/20 0.38
POLB P06746 2/20 0.32
CYP3A4 P08684 2/20 0.31
MAPT P10636 2/20 0.31
CYP1A2 P05177 1/20 0.31
XDH P47989 1/20 0.30
MEN1 O00255 1/20 0.30
ALOX5 P09917 1/20 0.30
GAA P10253 1/20 0.30
GABRB1 P18505 1/20 0.30
RXRA P19793 1/20 0.30
CNR1 P21554 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
CNR2 P34972 1/20 0.30
GABRA2 P47869 1/20 0.30
KMT2A Q03164 1/20 0.30
ACE2 Q9BYF1 1/20 0.30
SIRT3 Q9NTG7 1/20 0.30

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
SCHEMBL1865361 0.83 GABRA1 (0.48) GABRA1GABRB2POLBCYP3A4MAPT
SCHEMBL2162708 0.81 XDH (0.39) GABRA1GABRB2POLBCYP3A4MAPT
SCHEMBL9399475 0.79 GABRA1 (0.36) GABRA1GABRB2POLB
SCHEMBL20681220 0.79 GABRA1 (0.36) GABRA1GABRB2POLBCYP3A4ALOX5
SCHEMBL10410485 0.79 GABRA1 (0.36) GABRA1GABRB2POLBMAPTCYP1A2
SCHEMBL467130 0.79 DHFR (0.39) GABRA1GABRB2POLBCYP3A4MAPT
SCHEMBL671144 0.79 PTGDR (0.40) GABRA1GABRB2POLBCYP3A4MAPT
SCHEMBL9721939 0.79 GABRA1 (0.45) GABRA1GABRB2POLBMAPTXDH
Bromide SCHEMBL10410488 0.77 GABRA1 (0.35) GABRA1GABRB2POLBMAPTMEN1
SCHEMBL28789107 0.76 GABRA1 (0.38) GABRA1GABRB2POLBCYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5321067-A Oxidation, heat resistance CIBA-GEIGY CORPORATION (US) 1994-06-14 US disclosed
US-5145970-A Oil additives CIBA-GEIGY CORPORATION (US) 1992-09-08 US disclosed