SCHEMBL7615055

SCHEMBL7615055

CC(C)NC(=O)c1c(C(c2ccc(O)cc2)c2ccc(OS(C)(=O)=O)cc2)c2ccccc2n1CCN(C)C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
HTT P42858 2/20 0.36
HTR6 P50406 1/20 0.35
PTGER4 P35408 3/20 0.32
OPRK1 P41145 1/20 0.32
HDAC1 Q13547 1/20 0.32
CYP19A1 P11511 1/20 0.32
TSHR P16473 1/20 0.32
TOP2A P11388 1/20 0.32
PER2 O15055 3/20 0.31
CRY1 Q16526 3/20 0.31
CRY2 Q49AN0 3/20 0.31
CNR2 P34972 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL7615052 0.93 KDM4E (0.39) KDM4EALDH1A1HTTHTR6PTGER4
SCHEMBL7615359 0.89 DNM1 (0.36) KDM4EALDH1A1HTR6PTGER4CYP19A1
Hydrochloric Acid SCHEMBL8472661 0.89 KDM4E (0.42) KDM4EALDH1A1HTTHTR6PTGER4
SCHEMBL8474349 0.88 KMT2A (0.37) KDM4EALDH1A1HTTPTGER4TSHR
SCHEMBL7614890 0.88 KMT2A (0.37) KDM4EALDH1A1HTTPTGER4TSHR
SCHEMBL7618604 0.86 HTR6 (0.35) HTR6PTGER4TOP2APER2CRY1
SCHEMBL8474836 0.85 ENPP1 (0.37) KDM4EALDH1A1HTTHDAC1TSHR
SCHEMBL8475130 0.84 KDM4E (0.44) KDM4EALDH1A1HTTHTR6PTGER4
SCHEMBL7615408 0.84 CNR2 (0.36) KDM4EALDH1A1HTR6PTGER4CNR2
SCHEMBL8475477 0.83 KDM4E (0.39) KDM4EALDH1A1HTTHTR6PTGER4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741132-B1 INDOLE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2002-04-10 EP disclosed
US-5891902-A OSTEOPOROSIS KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-04-06 US disclosed
EP-0741132-A1 INDOLE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-11-06 EP disclosed