SCHEMBL8336928

SCHEMBL8336928

COCCOCn1nc2c3c(c(N)ccc31)C(=O)c1ccccc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 7/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ MEN1 O00255 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ POLB P06746 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ FGB P02675 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NCOA2 Q15596 1/20 0.40
▸ NCOA1 Q15788 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CSNK1A1 P48729 2/20 0.38
▸ CSNK1D P48730 2/20 0.38
▸ CSNK1G1 Q9HCP0 2/20 0.38
▸ FGR P09769 1/20 0.38

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
SCHEMBL8340182 0.87 MAOA (0.38) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL8337451 0.85 TOP2A (0.45) ADORA2AMEN1KMT2APOLBMAPT
SCHEMBL8172006 0.83 EIF2AK2 (0.54) CYP1A2MEN1KMT2APOLBMAPT
SCHEMBL8336811 0.76 TOP2A (0.45) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL8340204 0.73 TOP2A (0.41) KMT2AMAPTMAPK13EIF2AK2MAPK12
SCHEMBL16261316 0.68 ADORA2A (0.60) ADORA2ACYP1A2MEN1KMT2APOLB
SCHEMBL15440787 0.66 HTT (0.52) ADORA2ACYP1A2KMT2APOLBALDH1A1
SCHEMBL10809856 0.66 MEN1 (0.68) ADORA2ACYP1A2MEN1KMT2APOLB
SCHEMBL10801104 0.65 TOP2A (0.54) ADORA2AMAPK13EIF2AK2MAPK12MAPK11
SCHEMBL15440511 0.65 RXRA (0.48) ADORA2ACYP1A2KMT2APOLBSMN1; SMN2

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-7335676-B2 Methods for treating inflammatory conditions or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-02-26 — — US disclosed
WO-2004084891-A1 METHODS FOR TREATING INFLAMMATORY CONDITIONS OR INHIBITING JNK SIGNAL PHARMACEUTICALS, LLC (US) 2004-10-07 — — WO disclosed
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