SCHEMBL8475772

SCHEMBL8475772

O=C(NCCCN1CCCC1=O)c1c(C(c2ccccc2)c2ccc(OCCN3CCCC3)cc2)c2ccccc2n1CCN1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 1/20 0.44
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 3/20 0.43
HPGD P15428 2/20 0.43
MAPK1 P28482 1/20 0.43
CREBBP Q92793 1/20 0.43
RCE1 Q9Y256 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
LTA4H P09960 1/20 0.42
RAB9A P51151 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KMT2A Q03164 1/20 0.42
HRH3 Q9Y5N1 2/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL8472345 0.93 SMN1; SMN2 (0.45) SMN1; SMN2LMNAKDM4EALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL8474664 0.89 KDM4E (0.46) SMN1; SMN2LMNAKDM4EALDH1A1HSD17B10
SCHEMBL8472298 0.89 KDM4E (0.48) SMN1; SMN2LMNAKDM4EALDH1A1HSD17B10
SCHEMBL8475303 0.89 KDM4E (0.48) SMN1; SMN2LMNAKDM4EALDH1A1HSD17B10
SCHEMBL8476307 0.88 SMN1; SMN2 (0.46) SMN1; SMN2LMNAKDM4EALDH1A1HSD17B10
SCHEMBL8477351 0.86 HRH3 (0.48) SMN1; SMN2LMNAKDM4EALDH1A1HPGD
SCHEMBL8475771 0.85 SMN1; SMN2 (0.41) SMN1; SMN2LMNAKDM4EALDH1A1HSD17B10
SCHEMBL8476167 0.85 ALDH1A1 (0.50) SMN1; SMN2LMNAKDM4EALDH1A1HSD17B10
SCHEMBL8472040 0.84 SMN1; SMN2 (0.50) SMN1; SMN2LMNAKDM4EALDH1A1HSD17B10
SCHEMBL8472242 0.84 SMN1; SMN2 (0.46) SMN1; SMN2LMNAKDM4EALDH1A1HSD17B10

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