SCHEMBL11715541

SCHEMBL11715541

CCC12c3ccccc3C(CC)(c3cc(N)ccc31)N2C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 4/20 0.39
MAPT P10636 4/20 0.39
HSD17B10 Q99714 3/20 0.39
HBB P68871 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
CHEK1 O14757 2/20 0.37
PRKD3 O94806 2/20 0.37
MAP4K4 O95819 2/20 0.37
RET P07949 2/20 0.37
MET P08581 2/20 0.37
PDGFRA P16234 2/20 0.37
FLT1 P17948 2/20 0.37
LTK P29376 2/20 0.37
PRKX P51817 2/20 0.37

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
SCHEMBL11716102 0.83 PKM (0.35) KMT2ALMNASIGMAR1
SCHEMBL11715464 0.81 PDK2 (0.36) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL11720987 0.79 PARK7 (0.37) KDM4EMAPTMAPK1PDK2L3MBTL1
SCHEMBL11721089 0.79 GABRA1 (0.33) SIGMAR1
SCHEMBL11719254 0.79 PGR (0.38) PDK2HTR7
SCHEMBL11714685 0.79 MEN1 (0.36) MEN1KMT2AALDH1A1MAPTPDK2
SCHEMBL11717678 0.77 PDK2 (0.40) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL11715657 0.77 NOX1 (0.33) MEN1KMT2AALDH1A1DRD3NOX1
SCHEMBL11719488 0.76 PTGER4 (0.36) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL11713825 0.76 PGR (0.42) PDK2DRD3

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-4064139-A TRANQUILIZERS, ANTICONVULSANTS, MUSCLE RELAXANTS, ANTI-PARKINSON'S DISEASE MERCK & CO., INC. (US) 1977-12-20 US claimed
US-4064139-A TRANQUILIZERS, ANTICONVULSANTS, MUSCLE RELAXANTS, ANTI-PARKINSON'S DISEASE MERCK & CO., INC. (US) 1977-12-20 US disclosed