SCHEMBL17828616

SCHEMBL17828616

CN(C)/C=N/c1ccc(Oc2ccc(/N=C/N(C)C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 9/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
TP53 P04637 3/20 0.39
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
HPGD P15428 4/20 0.38

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
SCHEMBL17828618 0.77 ALDH1A1 (0.55) KMT2AALDH1A1SMN1; SMN2TP53KDM4E
SCHEMBL6659427 0.76 S100B (0.62) KMT2AALDH1A1SMN1; SMN2TP53KDM4E
SCHEMBL6662201 0.76 S100B (0.62) KMT2AALDH1A1SMN1; SMN2TP53KDM4E
SCHEMBL11666035 0.76 S100B (0.62) KMT2AALDH1A1SMN1; SMN2TP53KDM4E
SCHEMBL218110 0.75 ALDH1A1 (0.53) KMT2AALDH1A1SMN1; SMN2TP53KDM4E
SCHEMBL218111 0.75 ALDH1A1 (0.53) KMT2AALDH1A1SMN1; SMN2TP53KDM4E
SCHEMBL17761949 0.75 ALDH1A1 (0.53) KMT2AALDH1A1SMN1; SMN2TP53KDM4E
SCHEMBL12878937 0.74 KDM4E (0.43) KMT2AALDH1A1SMN1; SMN2TP53KDM4E
SCHEMBL21162717 0.74 TEAD4 (0.50) KMT2AALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL10342089 0.74 KMT2A (0.50) KMT2AALDH1A1SMN1; SMN2TP53KDM4E

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-20160166979-A1 GAS SEPARATION MEMBRANE COMPRISING SUPER BASE GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-06-16 US disclosed
US-20160166979-A1 GAS SEPARATION MEMBRANE COMPRISING SUPER BASE GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-06-16 US disclosed