SCHEMBL18155253

SCHEMBL18155253

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.38
HSD17B10 Q99714 7/20 0.38
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
RAD52 P43351 1/20 0.36
PAX8 Q06710 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TEAD4 Q15561 2/20 0.35
SLC6A4 P31645 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
CHRM1 P11229 1/20 0.35
MAOA P21397 1/20 0.35
DRD1 P21728 1/20 0.35

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
SCHEMBL18155244 0.92 HSD17B10 (0.38) KDM4EHSD17B10MAPTALDH1A1LMNA
SCHEMBL18155278 0.88 KDM4E (0.35) KDM4EHSD17B10MAPTALDH1A1LMNA
SCHEMBL13653937 0.88 HTR6 (0.38) KDM4EHSD17B10MAPTALDH1A1LMNA
SCHEMBL1120623 0.88 KDM4E (0.36) KDM4EHSD17B10MAPTALDH1A1LMNA
SCHEMBL18155259 0.87 KDM4E (0.36) KDM4EHSD17B10MAPTALDH1A1LMNA
SCHEMBL18155270 0.86 HTR6 (0.40) KDM4EHSD17B10MAPTALDH1A1LMNA
SCHEMBL18155247 0.86 HRH1 (0.38) KDM4EHSD17B10MAPTALDH1A1LMNA
SCHEMBL18155293 0.85 KDM4E (0.33) KDM4EHSD17B10MAPTALDH1A1LMNA
SCHEMBL18155263 0.83 HRH1 (0.40) KDM4EHSD17B10MAPTALDH1A1LMNA
SCHEMBL13654454 0.81 KDM4E (0.39) KDM4EHSD17B10MAPTALDH1A1LMNA

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