SCHEMBL8476267

SCHEMBL8476267

CN(C)CCNC(=O)c1c(C(c2ccc(O)cc2)c2ccc(O)cc2)c2ccccc2n1CCN(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.46
SRC P12931 1/20 0.46
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 2/20 0.42
PTGER4 P35408 2/20 0.39
CYP1A2 P05177 1/20 0.38
PARP1 P09874 1/20 0.38
HTR2C P28335 1/20 0.37
TOP2A P11388 1/20 0.36
DNM1 Q05193 2/20 0.36
HTT P42858 2/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
CHEK1 O14757 1/20 0.36
WEE1 P30291 1/20 0.36
TP53 P04637 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL8475687 0.93 EGFR (0.48) EGFRSRCKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL8473318 0.91 MEN1 (0.38) EGFRSRCKDM4EALDH1A1HPGD
SCHEMBL7615354 0.91 DNM1 (0.41) EGFRSRCKDM4EALDH1A1HPGD
SCHEMBL8472652 0.90 KDM4E (0.47) EGFRSRCKDM4EALDH1A1HPGD
SCHEMBL8474602 0.89 KDM4E (0.49) EGFRSRCKDM4EALDH1A1HPGD
SCHEMBL8477752 0.88 HPGD (0.46) KDM4EALDH1A1HPGDHSD17B10PTGER4
SCHEMBL8476050 0.88 NPY5R (0.47) EGFRSRCKDM4EALDH1A1HPGD
SCHEMBL8472191 0.87 TAS1R3 (0.39) EGFRSRCKDM4EALDH1A1MAPT
SCHEMBL8476075 0.87 LMNA (0.46) KDM4EALDH1A1HPGDMAPTHTT
SCHEMBL8477583 0.87 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHSD17B10MAPT

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-0782988-A1 INDOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-07-09 EP disclosed