SCHEMBL10347414

SCHEMBL10347414

CCCCC(=O)Oc1ccc(CCC2CCC(CCC)CC2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPT P10636 1/20 0.37
▸ MEN1 O00255 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ PTGES O14684 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ ITGB3 P05106 1/20 0.35
▸ ITGA2B P08514 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HPGD P15428 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.34
▸ P2RX3 P56373 1/20 0.34

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
SCHEMBL10347413 1.00 KMT2A (0.38) KMT2ASMN1; SMN2MAPTMEN1ALDH1A1
SCHEMBL10347270 0.97 KMT2A (0.42) KMT2ASMN1; SMN2MAPTMEN1ALDH1A1
SCHEMBL10347269 0.97 KMT2A (0.42) KMT2ASMN1; SMN2MAPTMEN1ALDH1A1
SCHEMBL10347358 0.95 KMT2A (0.35) KMT2ASMN1; SMN2MAPTMEN1ALDH1A1
SCHEMBL10347360 0.94 KMT2A (0.37) KMT2ASMN1; SMN2MAPTMEN1ALDH1A1
SCHEMBL10347359 0.94 KMT2A (0.37) KMT2ASMN1; SMN2MAPTMEN1ALDH1A1
SCHEMBL10347580 0.93 KMT2A (0.39) KMT2ASMN1; SMN2MAPTMEN1ALDH1A1
SCHEMBL10347329 0.93 BCL9 (0.39) KMT2AMAPTALDH1A1HPGDKDM4E
SCHEMBL10347327 0.93 BCL9 (0.39) KMT2AMAPTALDH1A1HPGDKDM4E
SCHEMBL10347161 0.92 KMT2A (0.42) KMT2ASMN1; SMN2MAPTMEN1ALDH1A1

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
Send feedback