SCHEMBL8475739

SCHEMBL8475739

CCCNC(=O)c1c(C(c2ccccc2)c2ccccc2)c2ccccc2n1CCCCN1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 2/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
RAD52 P43351 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CNR2 P34972 2/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 1/20 0.41
HTR7 P34969 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL8472179 0.98 KDM4E (0.48) KDM4ELMNASMN1; SMN2TP53ALDH1A1
Hydrochloric Acid SCHEMBL8474181 0.94 KDM4E (0.52) KDM4ELMNASMN1; SMN2TP53ALDH1A1
SCHEMBL8472493 0.90 KDM4E (0.52) KDM4ELMNASMN1; SMN2TP53ALDH1A1
Hydrochloric Acid SCHEMBL8476318 0.90 KDM4E (0.50) KDM4ELMNASMN1; SMN2TP53ALDH1A1
SCHEMBL8472860 0.87 HTR7 (0.43) KDM4ELMNAALDH1A1CNR2HTR7
SCHEMBL8475956 0.87 KDM4E (0.54) KDM4ELMNAALDH1A1MAPTHSD17B10
SCHEMBL8477351 0.87 HRH3 (0.48) KDM4ELMNASMN1; SMN2TP53ALDH1A1
SCHEMBL8472213 0.86 KDM4E (0.53) KDM4ELMNASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL8472293 0.85 POLB (0.41) KDM4EMAPTCNR2MEN1KMT2A
SCHEMBL8472528 0.85 KDM4E (0.49) KDM4ELMNASMN1; SMN2ALDH1A1MAPT

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