SCHEMBL6673054

SCHEMBL6673054

O=C(NCCc1ccc(Cl)cc1)c1c[nH]c2ccc(CN3CCOCC3)cc2c1=O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 4/20 0.56
HPGD P15428 3/20 0.56
MAPT P10636 3/20 0.52
KMT2A Q03164 2/20 0.51
USP2 O75604 1/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
KCNH2 Q12809 3/20 0.50
POLA1 P09884 1/20 0.50
POLB P06746 1/20 0.50
BACE1 P56817 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL6205197 0.86 POLB (0.61) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL6668160 0.84 KMT2A (0.49) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL6204455 0.83 POLB (0.53) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL6667777 0.83 RAB9A (0.55) KDM4EMAPTKMT2AGAAKCNH2
SCHEMBL6668355 0.83 KDM4E (0.44) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL6667855 0.82 KMT2A (0.47) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL6667927 0.82 KMT2A (0.50) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL6670167 0.81 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL7848232 0.81 KCNH2 (0.46) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL6667865 0.81 KMT2A (0.48) ALDH1A1KDM4EHPGDMAPTKMT2A

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
WO-2004019932-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO claimed