SCHEMBL9836388

SCHEMBL9836388

Cc1ccc(N2C(=O)C3=C(c4ccccc4)N(c4ccc(C)cc4)C(=O)C3=C2c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.48
ELANE P08246 1/20 0.48
CTSG P08311 1/20 0.48
CMA1 P23946 1/20 0.48
CTRC Q99895 1/20 0.48
MGLL Q99685 2/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
TLR9 Q9NR96 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HTT P42858 3/20 0.43
PGR P06401 1/20 0.43
FAAH O00519 1/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL5068959 0.87 MGLL (0.46) MGLLMEN1KMT2AGAATLR9
SCHEMBL29644730 0.85 F2 (0.52) F2ELANECTSGCMA1CTRC
SCHEMBL10050140 0.84 KMT2A (0.40) F2ELANECTSGCMA1CTRC
SCHEMBL23954215 0.83 HSP90AA1 (0.51) MGLLMEN1KMT2AGAAALDH1A1
SCHEMBL10050139 0.83 APP (0.42) F2ELANECTSGCMA1CTRC
SCHEMBL6629542 0.81 NR1H3 (0.58) MGLLMEN1KMT2AGAAALDH1A1
SCHEMBL25028161 0.81 HSP90AA1 (0.53) MGLLMEN1KMT2AGAAALDH1A1
SCHEMBL27575223 0.81 NR1H2 (0.45) MGLLMEN1KMT2AGAATLR9
SCHEMBL6629264 0.80 MGLL (0.49) F2ELANECTSGCMA1CTRC
SCHEMBL5069998 0.75 MGLL (0.36) MGLLMEN1KMT2AGAAALDH1A1

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
EP-0426717-A1 OPTICAL MEMORY. RIEDEL DE HAEN AG (DE) 1991-05-15 EP disclosed
WO-1990001480-A1 OPTICAL MEMORY RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) 1990-02-22 WO disclosed