SCHEMBL7601575

SCHEMBL7601575

Cc1cccc(N(C)c2cccc3c2C(=O)c2ccccc2C3=O)c1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.63
L3MBTL1 Q9Y468 6/20 0.63
MAPK1 P28482 4/20 0.63
MAPT P10636 4/20 0.63
TDP1 Q9NUW8 3/20 0.63
EGFR P00533 2/20 0.63
LMNA P02545 2/20 0.63
NSD2 O96028 2/20 0.63
PABPC1 P11940 3/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 5/20 0.46
RAB9A P51151 4/20 0.45
PTK2B Q14289 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP3A4 P08684 2/20 0.45
TSHR P16473 2/20 0.45
NPC1 O15118 2/20 0.45
CASP3 P42574 1/20 0.45

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
SCHEMBL9844713 0.88 ALDH1A1 (0.79) ALDH1A1L3MBTL1MAPK1MAPTTDP1
SCHEMBL28879261 0.87 MAPT (0.51) ALDH1A1L3MBTL1MAPK1MAPTTDP1
SCHEMBL11537181 0.84 ADORA2A (0.51) ALDH1A1L3MBTL1MAPK1MAPTTDP1
SCHEMBL11800770 0.80 ALDH1A1 (0.51) ALDH1A1L3MBTL1MAPK1MAPTTDP1
SCHEMBL6545910 0.79 ALDH1A1 (0.64) ALDH1A1L3MBTL1MAPK1MAPTTDP1
SCHEMBL187706 0.78 L3MBTL1 (1.00) ALDH1A1L3MBTL1MAPK1MAPTTDP1
SCHEMBL5436537 0.77 TRPA1 (0.44) ALDH1A1MAPK1MAPTLMNAKDM4E
SCHEMBL10885242 0.76 ALDH1A1 (0.53) ALDH1A1L3MBTL1MAPK1MAPTTDP1
SCHEMBL11605652 0.76 ALDH1A1 (0.51) ALDH1A1L3MBTL1MAPK1MAPTTDP1
SCHEMBL224650 0.75 ALDH1A1 (0.66) ALDH1A1L3MBTL1MAPK1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110520460-B Process for the preparation of poly (alkylene furandicarboxylate) 杜邦工业生物科学美国有限责任公司 2022-12-30 CN disclosed
CN-101362851-A A polyester gas barrier resin and a process thereof FUTURA POLYESTERS LTD (IN) 2009-02-11 CN disclosed
US-20020007663-A1 Method of introducing an in situant into a vapor compression system, especially useful for leak detection, as well as an apparatus for leak detection and a composition useful for leak detection MAINSTREAM ENGINEERING CORPORATION 2002-01-24 US disclosed
US-6327897-B1 Method of introducing an in situant into a vapor compression system, especially useful for leak detection, as well as an apparatus for leak detection and a composition useful for leak detection MAINSTREAM ENGINEERING CORPORATION 2001-12-11 US disclosed