SCHEMBL18155293

SCHEMBL18155293

CCC1c2c(c3cc(C)ccc3n2C#Cc2ccc(OC)c(F)c2)CCN1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.33
HSD17B10 Q99714 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 3/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
RAD52 P43351 1/20 0.31
CYP2D6 P10635 2/20 0.31
MAPK1 P28482 1/20 0.31
PAX8 Q06710 1/20 0.31
HRH1 P35367 1/20 0.31
HTR6 P50406 1/20 0.31
THRB P10828 1/20 0.31
SLC6A4 P31645 3/20 0.30
SIGMAR1 Q99720 2/20 0.30
TMEM97 Q5BJF2 1/20 0.30
DRD4 P21917 1/20 0.30
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL13653940 0.91 SLC6A3 (0.34) KDM4EHSD17B10LMNAALDH1A1MAPT
SCHEMBL18155278 0.91 KDM4E (0.35) KDM4EHSD17B10LMNAALDH1A1MAPT
SCHEMBL18155322 0.88 MAPT (0.32) KDM4EHSD17B10MAPTCYP2D6PAX8
SCHEMBL18155270 0.87 HTR6 (0.40) KDM4EHSD17B10LMNAALDH1A1MAPT
SCHEMBL13653937 0.87 HTR6 (0.38) KDM4EHSD17B10LMNAALDH1A1MAPT
SCHEMBL18155244 0.87 HSD17B10 (0.38) KDM4EHSD17B10SMN1; SMN2LMNAALDH1A1
SCHEMBL18155253 0.85 KDM4E (0.38) KDM4EHSD17B10SMN1; SMN2LMNAALDH1A1
SCHEMBL1120623 0.83 KDM4E (0.36) KDM4EHSD17B10LMNAALDH1A1MAPT
SCHEMBL13654570 0.82 KDM4E (0.36) KDM4EHSD17B10LMNAALDH1A1MAPT
SCHEMBL18155247 0.81 HRH1 (0.38) KDM4EHSD17B10LMNAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9469641-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-10-18 US disclosed