SCHEMBL10347161

SCHEMBL10347161

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
HPGD P15428 2/20 0.40
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 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
CNR2 P34972 1/20 0.37
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
IDH1 O75874 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
SCHEMBL10347164 1.00 KMT2A (0.42) KMT2ASMN1; SMN2ITGB3ITGA2BHPGD
SCHEMBL10347549 0.98 KMT2A (0.42) KMT2ASMN1; SMN2ITGB3ITGA2BHPGD
SCHEMBL10347547 0.98 KMT2A (0.42) KMT2ASMN1; SMN2ITGB3ITGA2BHPGD
SCHEMBL10347173 0.97 KMT2A (0.40) KMT2ASMN1; SMN2ITGB3ITGA2BHPGD
SCHEMBL10347175 0.97 KMT2A (0.40) KMT2ASMN1; SMN2ITGB3ITGA2BHPGD
SCHEMBL10347172 0.97 KMT2A (0.40) KMT2ASMN1; SMN2ITGB3ITGA2BHPGD
SCHEMBL10347580 0.97 KMT2A (0.39) KMT2ASMN1; SMN2ITGB3ITGA2BHPGD
SCHEMBL10347442 0.95 ITGB3 (0.38) KMT2ASMN1; SMN2ITGB3ITGA2BHPGD
SCHEMBL10347270 0.95 KMT2A (0.42) KMT2ASMN1; SMN2ITGB3ITGA2BHPGD
SCHEMBL10347440 0.95 ITGB3 (0.38) KMT2ASMN1; SMN2ITGB3ITGA2BHPGD

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