SCHEMBL10099720

SCHEMBL10099720

CC(=O)N(CCN(C(C)=O)c1ccccc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
TP53 P04637 1/20 0.60
ALDH1A1 P00352 4/20 0.57
TSHR P16473 2/20 0.57
GLA P06280 1/20 0.57
HTT P42858 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.53
ACHE P22303 1/20 0.51
LTB4R2 Q9NPC1 1/20 0.50
ICMT O60725 1/20 0.49
TSPO P30536 1/20 0.49
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
NPC1 O15118 1/20 0.46
JAK2 O60674 1/20 0.46

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
SCHEMBL18457436 0.92 MEN1 (0.55) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL2069635 0.90 TP53 (0.59) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL6629576 0.90 ALDH1A1 (0.52) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL8041935 0.88 ALDH1A1 (0.50) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL27526983 0.88 TP53 (0.53) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL8329334 0.88 ALDH1A1 (0.50) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL10460057 0.88 ADRA2C (0.53) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL817611 0.86 NPC1 (0.59) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL4153728 0.86 ACHE (0.52) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL10398306 0.86 MEN1 (0.53) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9

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-8147735-B2 Semipermeable polymers and method for producing same ELTRON RESEARCH & DEVELOPMENT, INC. (US) 2012-04-03 US disclosed
US-20100006495-A1 SEMIPERMEABLE POLYMERS AND METHOD FOR PRODUCING SAME ELTRON RESEARCH AND DEVELOPMENT, INC. (US) 2010-01-14 US disclosed