SCHEMBL8475172

SCHEMBL8475172

COCOc1ccc(C(c2ccc(OCOC)cc2)c2c(C(=O)NCc3ccccn3)n(CCN(C)C)c3ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
KDM4E B2RXH2 5/20 0.42
LMNA P02545 4/20 0.42
TSHR P16473 3/20 0.42
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
USP2 O75604 3/20 0.42
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TP53 P04637 2/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
MAPK1 P28482 2/20 0.41
HPGD P15428 3/20 0.40
HSD17B10 Q99714 3/20 0.40
MAPK14 Q16539 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
S1PR3 Q99500 1/20 0.37

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
SCHEMBL8472678 0.92 RAB9A (0.40) ALDH1A1KDM4ELMNATSHRHTT
SCHEMBL8475916 0.89 ALDH1A1 (0.49) ALDH1A1KDM4ELMNATSHRHTT
SCHEMBL8583082 0.88 ALDH1A1 (0.48) ALDH1A1KDM4ELMNATSHRHTT
SCHEMBL8472329 0.88 EGFR (0.41) ALDH1A1KDM4EMAPTTP53KMT2A
SCHEMBL8475833 0.88 KDM4E (0.42) ALDH1A1KDM4ELMNATSHRHTT
SCHEMBL7616866 0.86 PTGER4 (0.38) ALDH1A1KDM4ESMN1; SMN2MAPTKMT2A
SCHEMBL8472316 0.85 RXFP1 (0.42) ALDH1A1KDM4ELMNATSHRSMN1; SMN2
SCHEMBL8474409 0.84 NPY5R (0.42) ALDH1A1KDM4ELMNATSHRHTT
SCHEMBL7612724 0.83 ALDH1A1 (0.39) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL8477343 0.82 KDM4E (0.41) ALDH1A1KDM4ELMNATSHRSMN1; SMN2

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
US-5891902-A OSTEOPOROSIS KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-04-06 US disclosed
EP-0782988-A1 INDOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-07-09 EP disclosed