SCHEMBL11092258

SCHEMBL11092258

C=Nc1c(C)cc(Oc2ccc(Cc3ccccc3)cc2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 6/20 0.46
▸ SRD5A2 P31213 2/20 0.43
▸ IDH1 O75874 2/20 0.40
▸ GRIN1 Q05586 2/20 0.39
▸ GRIN2B Q13224 2/20 0.39
▸ ACACB O00763 1/20 0.39
▸ ACACA Q13085 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HTT P42858 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ CALM1 P0DP23 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36

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
SCHEMBL11083127 0.80 LTA4H (0.50) LTA4HSRD5A2IDH1GRIN1GRIN2B
SCHEMBL246373 0.76 LTA4H (0.67) LTA4HSRD5A2IDH1GRIN1GRIN2B
SCHEMBL7178244 0.76 LTA4H (0.67) LTA4HSRD5A2IDH1GRIN1GRIN2B
SCHEMBL10269397 0.74 SRD5A2 (0.68) LTA4HSRD5A2IDH1GRIN1GRIN2B
SCHEMBL23098203 0.72 SRD5A2 (0.70) LTA4HSRD5A2GRIN1GRIN2BCALM1
SCHEMBL9906839 0.72 SRD5A2 (0.70) LTA4HSRD5A2GRIN1GRIN2BCALM1
SCHEMBL9680517 0.72 ST14 (0.48) LTA4HSRD5A2GRIN1GRIN2BALDH1A1
SCHEMBL19091743 0.71 SRD5A2 (0.59) LTA4HSRD5A2IDH1GRIN1GRIN2B
SCHEMBL12199185 0.71 KMT2A (0.50) LTA4HSRD5A2IDH1L3MBTL1SMN1; SMN2
SCHEMBL9816693 0.70 SRD5A2 (0.58) LTA4HSRD5A2IDH1HTTKDM4E

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
US-4452795-A MITICIDES, INSECTICIDES CIBA-GEIGY CORPORATION (US) 1984-06-05 — — US disclosed
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