SCHEMBL9844401

SCHEMBL9844401

O=C(CCN1CCNCC1)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRCP P42785 6/20 0.57
KMT2A Q03164 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 1/20 0.52
HTT P42858 1/20 0.51
LMNA P02545 2/20 0.50
KDM4E B2RXH2 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
METAP2 P50579 1/20 0.48
METAP1 P53582 1/20 0.48
ALDH1A1 P00352 4/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL27627853 0.76 CACNA2D1 (0.68) KMT2AL3MBTL1MEN1HTTSIGMAR1
SCHEMBL1654788 0.76 HTR1A (0.72) KMT2AMEN1HTTSIGMAR1GAA
SCHEMBL4494058 0.75 SIGMAR1 (0.55) KMT2AL3MBTL1MEN1KDM4ESIGMAR1
SCHEMBL25180786 0.73 NPC1 (0.74) PRCPKMT2AL3MBTL1LMNAALDH1A1
SCHEMBL5597718 0.73 KMT2A (0.71) KMT2ALMNASIGMAR1ALDH1A1GAA
SCHEMBL4492195 0.72 SIGMAR1 (0.54) KMT2AMEN1LMNASIGMAR1METAP1
SCHEMBL3011662 0.72 NPC1 (0.77) PRCPKMT2AL3MBTL1MEN1ALDH1A1
SCHEMBL9844038 0.72 ALDH1A1 (0.60) KMT2AL3MBTL1MEN1LMNAALDH1A1
SCHEMBL31167447 0.72 KMT2A (0.94) KMT2AL3MBTL1MEN1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL4820975 0.72 ALDH1A1 (0.71) KMT2ALMNASIGMAR1ALDH1A1GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0433662-A2 Acat inhibitors WARNER-LAMBERT COMPANY (US) 1991-06-26 EP claimed