SCHEMBL10347309

SCHEMBL10347309

CCCCC(=O)Oc1ccc(CC[C@H]2CC[C@H]([C@H]3CC[C@H](CC)CC3)CC2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MAPT P10636 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ ITGB3 P05106 1/20 0.33
▸ ITGA2B P08514 1/20 0.33
▸ PTGES O14684 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HPGD P15428 3/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ CYP19A1 P11511 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ EGLN1 Q9GZT9 1/20 0.32
▸ P2RX3 P56373 1/20 0.32

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
SCHEMBL10347306 1.00 KMT2A (0.35) KMT2ASMN1; SMN2MAPTMEN1ITGB3
SCHEMBL10347308 1.00 KMT2A (0.35) KMT2ASMN1; SMN2MAPTMEN1ITGB3
SCHEMBL10347181 0.97 KMT2A (0.39) KMT2ASMN1; SMN2MAPTMEN1ITGB3
SCHEMBL10347179 0.97 KMT2A (0.39) KMT2ASMN1; SMN2MAPTMEN1ITGB3
SCHEMBL10347177 0.97 KMT2A (0.39) KMT2ASMN1; SMN2MAPTMEN1ITGB3
SCHEMBL10347360 0.97 KMT2A (0.37) KMT2ASMN1; SMN2MAPTMEN1ITGB3
SCHEMBL10347359 0.97 KMT2A (0.37) KMT2ASMN1; SMN2MAPTMEN1ITGB3
SCHEMBL10347174 0.94 KMT2A (0.38) KMT2ASMN1; SMN2MAPTMEN1ITGB3
SCHEMBL10347176 0.94 KMT2A (0.38) KMT2ASMN1; SMN2MAPTMEN1ITGB3
SCHEMBL10347171 0.94 KMT2A (0.38) KMT2ASMN1; SMN2MAPTMEN1ITGB3

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
EP-0365641-A1 PYRIDINE DERIVATIVES MERCK PATENT GmbH (DE) 1990-05-02 — — EP disclosed
WO-1989010356-A1 PYRIDINE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-11-02 — — WO disclosed
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