SCHEMBL10834697

SCHEMBL10834697

CCCCCCOC(c1ccc(N(C)C)cc1)c1c(C)n(C)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
MCL1 Q07820 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL10836562 0.91 NPC1 (0.37) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL10835401 0.84 CYP19A1 (0.39) ALDH1A1KDM4EHPGDGAANPC1
SCHEMBL8777656 0.81 GAA (0.38) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL8777753 0.80 CNR2 (0.42) ALDH1A1KDM4ECNR1CNR2MAPK1
SCHEMBL10834701 0.79 CYP19A1 (0.41) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL10836556 0.78 GAA (0.39) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL8777570 0.77 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL8777527 0.74 CYP19A1 (0.42) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL8777654 0.74 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL10834702 0.74 NPC1 (0.34) ALDH1A1KDM4EHPGDHSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4618684-A Substituted indoles THE HILTON-DAVIS CHEMICAL CO. (US) 1986-10-21 US disclosed
US-4485242-A PRESSURE SENSITIVE CARBONLESS REPRODUCTION STERLING DRUG INC. (US) 1984-11-27 US disclosed
US-4307898-A INDOLES STERLING DRUG INC. (US) 1981-12-29 US disclosed
EP-0035774-A2 Indoles, process for preparing them and duplicating or marking systems containing them STERLING DRUG INC. (US) 1981-09-16 EP disclosed