SCHEMBL8472345

SCHEMBL8472345

O=C(NCCCN1CCCC1=O)c1c(C(c2ccccc2)c2ccc(OCc3ccccc3)cc2)c2ccccc2n1CCN1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.45
LMNA P02545 2/20 0.43
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 2/20 0.42
HPGD P15428 1/20 0.42
CREBBP Q92793 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RCE1 Q9Y256 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPY1R P25929 1/20 0.40

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
SCHEMBL8475772 0.93 SMN1; SMN2 (0.46) SMN1; SMN2LMNAKDM4EALDH1A1MAPK1
SCHEMBL8472479 0.91 SMN1; SMN2 (0.45) SMN1; SMN2LMNAKDM4EALDH1A1MAPK1
Hydrochloric Acid SCHEMBL8474664 0.90 KDM4E (0.46) SMN1; SMN2LMNAKDM4EALDH1A1MAPK1
SCHEMBL8472339 0.89 SMN1; SMN2 (0.40) SMN1; SMN2LMNAKDM4EALDH1A1MAPK1
SCHEMBL8474454 0.88 LMNA (0.53) SMN1; SMN2LMNAKDM4EALDH1A1MAPT
SCHEMBL8472298 0.88 KDM4E (0.48) SMN1; SMN2LMNAKDM4EALDH1A1MAPK1
SCHEMBL8475303 0.88 KDM4E (0.48) SMN1; SMN2LMNAKDM4EALDH1A1MAPK1
SCHEMBL8479146 0.86 HTT (0.45) SMN1; SMN2LMNAKDM4EALDH1A1RAB9A
SCHEMBL8476167 0.84 ALDH1A1 (0.50) SMN1; SMN2LMNAKDM4EALDH1A1MAPK1
SCHEMBL8476307 0.83 SMN1; SMN2 (0.46) SMN1; SMN2LMNAKDM4EALDH1A1MAPK1

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