SCHEMBL29664158

SCHEMBL29664158

Nc1ccc(Nc2ccc3c(c2)C(=O)c2cc(Nc4ccc(N)cc4)ccc2C3=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.59
ALDH1A1 P00352 4/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
CYP3A4 P08684 2/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALOX12 P18054 2/20 0.48
HTT P42858 2/20 0.48
MAPT P10636 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TERT O14746 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47

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
SCHEMBL28888814 0.84 POLB (0.63) MAPK14NPC1RAB9ASMN1; SMN2TP53
SCHEMBL29664046 0.83 MAPK14 (0.58) MAPK14ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL28396111 0.82 MAPK14 (0.70) MAPK14ALDH1A1CYP3A4ALOX12HTT
SCHEMBL9543511 0.80 APP (0.59) MAPK14ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9566653 0.79 KMT2A (0.49) MAPK14ALDH1A1SMN1; SMN2CYP3A4MAPK1
SCHEMBL28393977 0.79 POLB (0.60) MAPK14NPC1RAB9ASMN1; SMN2TP53
SCHEMBL14675727 0.78 APP (0.57) MAPK14ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8654198 0.76 STAT3 (0.60) MAPK14ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4222228 0.76 MAPK14 (1.00) MAPK14
SCHEMBL3135129 0.75 NPC1 (0.86) ALDH1A1NPC1RAB9ASMN1; SMN2CYP3A4

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
CN-111072960-B Polyimide with high barrier property and preparation method and application thereof 湖南工业大学 2022-04-01 CN disclosed