SCHEMBL11028044

SCHEMBL11028044

C=C1N(C)c2ccc(C(=O)OCc3ccccc3)cc2C1(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
KMT2A Q03164 4/20 0.47
TDP1 Q9NUW8 4/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
MAPT P10636 7/20 0.45
ALDH1A1 P00352 7/20 0.45
RAB9A P51151 5/20 0.45
NPC1 O15118 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HPGD P15428 1/20 0.45
JMJD6 Q6NYC1 1/20 0.44
SRD5A1 P18405 1/20 0.44
SRD5A2 P31213 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 3/20 0.42
GAA P10253 2/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL9750298 0.84 RARA (0.50) LMNAKMT2AMAPTALDH1A1RAB9A
SCHEMBL10882529 0.79 NOX1 (0.46) KMT2ATDP1MAPTALDH1A1RAB9A
SCHEMBL13171960 0.78 NR1H2 (0.45) LMNAKMT2ATDP1MAPTKDM4E
SCHEMBL9750432 0.77 HRH3 (0.48) KMT2ARAB9ANPC1SRD5A2MEN1
SCHEMBL10939899 0.76 ALDH1A1 (0.52) LMNAKMT2ATDP1SLC6A2SLC6A3
SCHEMBL8839024 0.72 KMT2A (0.56) LMNAKMT2ATDP1SLC6A2SLC6A3
SCHEMBL7927907 0.71 SRD5A1 (0.55) LMNAKMT2ATDP1SLC6A2SLC6A3
SCHEMBL9750023 0.71 RARA (0.47) LMNAKMT2AMAPTALDH1A1RAB9A
SCHEMBL312287 0.70 KMT2A (0.92) LMNAKMT2ATDP1SLC6A2SLC6A3
SCHEMBL23222980 0.70 TDP1 (0.57) LMNAKMT2ATDP1SLC6A2SLC6A3

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
EP-0074569-B1 CATIONIC METHINE DYES, PROCESS FOR THEIR PREPARATION AND THEIR USE, IN DYEING TEXTILE MATERIALS AND OTHER SUBSTRATES BAYER AG (DE) 1985-06-19 EP disclosed
EP-0074569-A2 Cationic methine dyes, process for their preparation and their use, in dyeing textile materials and other substrates BAYER AG (DE) 1983-03-23 EP disclosed