SCHEMBL12124166

SCHEMBL12124166

Nc1cc2c(cc1N)C(=O)c1cc(N)c(N)cc1C2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.47
NPC1 O15118 3/20 0.46
ALDH1A1 P00352 3/20 0.46
RAB9A P51151 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
THRB P10828 2/20 0.40
MAOA P21397 3/20 0.39
MAOB P27338 2/20 0.39
ESR1 P03372 1/20 0.39
UGT1A1 P22309 1/20 0.39
ESR2 Q92731 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
PTPRC P08575 3/20 0.39
S100A4 P26447 3/20 0.39

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
SCHEMBL6029304 0.86 NPC1 (0.67) NPC1ALDH1A1RAB9ATDP1SMN1; SMN2
SCHEMBL6230652 0.82 NPC1 (0.61) NPC1ALDH1A1RAB9ATDP1SMN1; SMN2
SCHEMBL9354025 0.78 CA1 (0.40) NPC1ALDH1A1RAB9ATDP1SMN1; SMN2
SCHEMBL8663806 0.78 GAA (0.52) NPC1ALDH1A1RAB9ATDP1SMN1; SMN2
SCHEMBL16203591 0.78 NPC1 (0.37) NPC1ALDH1A1RAB9ATDP1SMN1; SMN2
SCHEMBL6230979 0.76 TGM2 (0.41) NPC1ALDH1A1RAB9ATDP1SMN1; SMN2
SCHEMBL11680862 0.76 MAOA (0.71) NPC1ALDH1A1RAB9ATDP1SMN1; SMN2
SCHEMBL441276 0.71 PPOX (0.46) PTK2ALDH1A1TDP1SMN1; SMN2CYP3A4
SCHEMBL8770711 0.71 ALDH1A1 (0.55) NPC1ALDH1A1RAB9ATDP1SMN1; SMN2
SCHEMBL8777800 0.71 NPC1 (0.55) NPC1ALDH1A1RAB9ATDP1SMN1; SMN2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118373988-A Covalent organic framework material, preparation method thereof, electrode material, battery and application 松山湖材料实验室 2024-07-23 CN disclosed
US-20230213863-A1 COMPOUND, RESIST UNDERLAYER FILM COMPOSITION INCLUDING SAME, AND RESIST UNDERLAYER FILM DONGJIN SEMICHEM CO., LTD. (KR) 2023-07-06 US disclosed
US-20230213863-A1 COMPOUND, RESIST UNDERLAYER FILM COMPOSITION INCLUDING SAME, AND RESIST UNDERLAYER FILM DONGJIN SEMICHEM CO., LTD. (KR) 2023-07-06 US disclosed
US-8056732-B2 Microporous polymer material THE UNIVERSITY OF MANCHESTER (GB) 2011-11-15 US disclosed
US-8056732-B2 Microporous polymer material THE UNIVERSITY OF MANCHESTER (GB) 2011-11-15 US disclosed
US-20100304112-A1 MICROPOROUS POLYMER MATERIAL THE UNIVERSITY OF MANCHESTER (GB) 2010-12-02 US disclosed
US-20100304112-A1 MICROPOROUS POLYMER MATERIAL THE UNIVERSITY OF MANCHESTER (GB) 2010-12-02 US disclosed
US-7690514-B2 Microporous polymer material THE UNIVERSITY OF MANCHESTER (GB) 2010-04-06 US disclosed
US-7690514-B2 Microporous polymer material THE UNIVERSITY OF MANCHESTER (GB) 2010-04-06 US disclosed