SCHEMBL8475932

SCHEMBL8475932

O=C(NCCCN1CCOCC1)c1c(C(c2ccccc2)c2ccccc2)c2ccccc2n1CCN1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
POLB P06746 2/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PARP1 P09874 1/20 0.46
TACR2 P21452 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL8472213 0.99 KDM4E (0.53) ALDH1A1KDM4ESMN1; SMN2POLBHPGD
SCHEMBL8472229 0.96 KDM4E (0.55) ALDH1A1KDM4ESMN1; SMN2POLBHPGD
SCHEMBL8476848 0.95 KDM4E (0.48) ALDH1A1KDM4ESMN1; SMN2POLBHPGD
SCHEMBL8899446 0.93 ALDH1A1 (0.49) ALDH1A1KDM4ESMN1; SMN2HPGDALOX15
SCHEMBL8472597 0.92 ALDH1A1 (0.50) ALDH1A1KDM4ESMN1; SMN2HPGDALOX15
SCHEMBL8474454 0.90 LMNA (0.53) ALDH1A1KDM4ESMN1; SMN2POLBKMT2A
SCHEMBL8475956 0.89 KDM4E (0.54) ALDH1A1KDM4EPOLBHPGDHSD17B10
SCHEMBL8472285 0.89 ALDH1A1 (0.52) ALDH1A1KDM4ESMN1; SMN2HPGDALOX15
SCHEMBL8472493 0.89 KDM4E (0.52) ALDH1A1KDM4ESMN1; SMN2POLBHPGD
SCHEMBL8476333 0.88 KDM4E (0.49) ALDH1A1KDM4ESMN1; SMN2POLBHPGD

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