SCHEMBL8993963

SCHEMBL8993963

CN(CCCC(=O)OC(C)(C)C)c1ccc(N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP14 P50281 1/20 0.38
PHLPP2 Q6ZVD8 1/20 0.37
HDAC8 Q9BY41 1/20 0.36
CYP3A4 P08684 5/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPT P10636 1/20 0.34
LMNA P02545 3/20 0.33
CYP1A2 P05177 3/20 0.33
CYP2D6 P10635 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
GAA P10253 1/20 0.33
DRD3 P35462 1/20 0.33
SCN1A P35498 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL8993992 0.85 SMN1; SMN2 (0.42) MMP14CYP3A4TP53L3MBTL1CYP2C9
SCHEMBL8993946 0.81 CYP1A2 (0.46) PHLPP2CYP3A4ALDH1A1LMNACYP1A2
SCHEMBL24257374 0.80 TDP1 (0.48) TDP1GAAMAOA
SCHEMBL23329003 0.79 GBA1 (0.42) PHLPP2CYP3A4ALDH1A1MAPK1TDP1
SCHEMBL21471472 0.78 MLYCD (0.43) PHLPP2HDAC8ALDH1A1MAPTLMNA
SCHEMBL8994024 0.78 PSEN1 (0.32) MMP14HDAC8PDE4D
SCHEMBL30850465 0.77 CKS1B (0.49) ALDH1A1MAPK1TDP1LMNAGAA
SCHEMBL7965135 0.77 MAOB (0.42) HDAC8MAPK1TDP1GAAGFER
SCHEMBL8993953 0.77 CYP1A2 (0.45) PHLPP2CYP3A4ALDH1A1TDP1ALOX15
SCHEMBL8994021 0.76 PSEN1 (0.33) MMP14HDAC8ALDH1A1L3MBTL1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5532171-A PHENOTHIAZINE DYES FOR PHOTODYNAMIC THERAPY OF CANCER OR IMMUNOASSAY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-07-02 US disclosed
US-5344928-A Phenothiazine compounds for cancer treatment or immunoassay using chemiluminescence TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-09-06 US disclosed
EP-0510668-A2 Phenothiazine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-10-28 EP disclosed