SCHEMBL8474454

SCHEMBL8474454

O=C(NCCCN1CCOCC1)c1c(C(c2ccccc2)c2ccc(OCc3ccccc3)cc2)c2ccccc2n1CCN1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
PKM P14618 1/20 0.53
TACR2 P21452 9/20 0.50
KDM4E B2RXH2 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 3/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.45
EGFR P00533 1/20 0.45
KMT2A Q03164 1/20 0.45
NPY1R P25929 1/20 0.44

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
SCHEMBL8477279 0.91 LMNA (0.51) LMNAMAPTPKMTACR2KDM4E
SCHEMBL8472213 0.90 KDM4E (0.53) LMNATACR2KDM4ESMN1; SMN2ALDH1A1
SCHEMBL8476848 0.90 KDM4E (0.48) LMNATACR2KDM4ESMN1; SMN2ALDH1A1
SCHEMBL8475932 0.90 ALDH1A1 (0.52) LMNATACR2KDM4ESMN1; SMN2ALDH1A1
SCHEMBL8479146 0.89 HTT (0.45) LMNAKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8474453 0.89 LMNA (0.49) LMNAMAPTPKMTACR2KDM4E
SCHEMBL8472345 0.88 SMN1; SMN2 (0.45) LMNAMAPTPKMKDM4ENPC1
SCHEMBL8472229 0.88 KDM4E (0.55) LMNATACR2KDM4ESMN1; SMN2ALDH1A1
SCHEMBL8477079 0.85 HTT (0.48) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8472597 0.85 ALDH1A1 (0.50) LMNAMAPTKDM4ENPC1RAB9A

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