SCHEMBL21180462

SCHEMBL21180462

c1cc(N2c3ccccc3-c3ccccc3-c3ccccc32)cc(N2c3ccccc3-c3ccccc3-c3cc(-c4ccc5c(c4)-c4ccccc4N(c4cc(N6c7ccccc7-c7ccccc7-c7ccccc76)cc(N6c7ccccc7-c7ccccc7-c7ccccc76)c4)c4ccccc4-5)ccc32)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.40
HTT P42858 2/20 0.40
ATM Q13315 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
APAF1 O14727 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
XBP1 P17861 1/20 0.40
PTBP1 P26599 1/20 0.40
RAB9A P51151 1/20 0.40
GALK1 P51570 1/20 0.40
BLM P54132 1/20 0.40
SMAD3 P84022 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.35
CES2 O00748 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
SCHEMBL16884827 0.87 ALDH1A1 (0.49) NPSR1HTTATMMEN1KMT2A
SCHEMBL16884823 0.86 ALDH1A1 (0.47) NPSR1HTTATMMEN1KMT2A
SCHEMBL16884822 0.85 ALDH1A1 (0.47) NPSR1HTTATMMEN1KMT2A
SCHEMBL18194127 0.84 ALDH1A1 (0.44) NPSR1HTTATMMEN1KMT2A
SCHEMBL18194124 0.84 ALDH1A1 (0.46) NPSR1HTTATMMEN1KMT2A
SCHEMBL65365 0.84 ALDH1A1 (0.45) NPSR1HTTATMMEN1KMT2A
SCHEMBL18194129 0.83 ALDH1A1 (0.43) NPSR1HTTATMMEN1KMT2A
SCHEMBL18194131 0.83 ALDH1A1 (0.43) NPSR1HTTATMMEN1KMT2A
SCHEMBL16884826 0.83 HTT (0.46) NPSR1HTTATMMEN1KMT2A
SCHEMBL16884820 0.81 PDE6D (0.45) NPSR1HTTATMMEN1KMT2A

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-10361387-B2 Light emitting layer-forming solid material, organic electroluminescent device and method for producing the same UDC IRELAND LIMITED (IE) 2019-07-23 US disclosed