SCHEMBL10347123

SCHEMBL10347123

CCCCCC(=O)Oc1ccc(CC[C@H]2CC[C@H](CC)CC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CA2 P00918 3/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ HRH2 P25021 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ CNR2 P34972 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ ITGB3 P05106 1/20 0.36
▸ ITGA2B P08514 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ HTR1B P28222 1/20 0.35

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
SCHEMBL10347124 1.00 KMT2A (0.41) KMT2ASMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL10347177 0.97 KMT2A (0.39) KMT2ASMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL10347179 0.97 KMT2A (0.39) KMT2ASMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL10347181 0.97 KMT2A (0.39) KMT2ASMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL10347359 0.97 KMT2A (0.37) KMT2ASMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL10347360 0.97 KMT2A (0.37) KMT2ASMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL10347547 0.94 KMT2A (0.42) KMT2ASMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL10347161 0.94 KMT2A (0.42) KMT2ASMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL10347164 0.94 KMT2A (0.42) KMT2ASMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL10347270 0.94 KMT2A (0.42) KMT2ASMN1; SMN2MEN1ALDH1A1MAPK1

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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