SCHEMBL8476841

SCHEMBL8476841

O=C(NCCCN1CCOCC1)c1c(C(c2ccccc2)c2ccc(O)cc2)c2ccccc2n1CCC1CCCN1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 2/20 0.42
GAA P10253 3/20 0.40
PARP1 P09874 1/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ACP1 P24666 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
LMNA P02545 1/20 0.39
BCL3 P20749 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL8472211 0.96 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2POLBGAA
SCHEMBL8472594 0.92 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2PARP1HPGD
SCHEMBL8474453 0.91 LMNA (0.49) KDM4EALDH1A1SMN1; SMN2POLBGAA
Hydrochloric Acid SCHEMBL8476314 0.88 KDM4E (0.38) KDM4EGAAHSD17B10ALOX15MAPK1
SCHEMBL8476848 0.88 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2POLBGAA
Hydrochloric Acid SCHEMBL8474659 0.87 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL8475954 0.85 KDM4E (0.45) KDM4EALDH1A1POLBGAAHPGD
SCHEMBL8476838 0.85 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2POLBGAA
SCHEMBL8472229 0.84 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2POLBGAA
Hydrochloric Acid SCHEMBL8474178 0.83 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10ALOX15

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-0782989-A1 INDOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-07-09 EP disclosed