SCHEMBL8993953

SCHEMBL8993953

CCOC(=O)CCCCN(C)c1ccc(N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
LMNA P02545 1/20 0.45
MAOA P21397 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
ALOX5 P09917 1/20 0.42
PPIB P23284 1/20 0.42
PPIA P62937 1/20 0.42
PPID Q08752 1/20 0.42
PPIG Q13427 1/20 0.42
TNF P01375 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
LTA4H P09960 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CYP4Z1 Q86W10 1/20 0.40
PHLPP2 Q6ZVD8 1/20 0.40

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
SCHEMBL8993978 0.99 CYP1A2 (0.44) CYP1A2CYP3A4LMNAMAOASMN1; SMN2
SCHEMBL8993946 0.95 CYP1A2 (0.46) CYP1A2CYP3A4LMNAMAOASMN1; SMN2
SCHEMBL7714031 0.85 SMN1; SMN2 (0.61) SMN1; SMN2CYP4F2CYP4A11ALOX5TNF
SCHEMBL21471540 0.85 CYP1A2 (0.42) CYP1A2CYP3A4LMNAMAOASMN1; SMN2
SCHEMBL7712007 0.84 KMT2A (0.49) CYP1A2CYP3A4SMN1; SMN2CYP4F2CYP4A11
SCHEMBL8993951 0.84 SMN1; SMN2 (0.60) SMN1; SMN2CYP4F2CYP4A11ALOX5TNF
SCHEMBL21471472 0.84 MLYCD (0.43) LMNAALDH1A1KDM4EPHLPP2TSHR
SCHEMBL6611276 0.83 SMN1; SMN2 (0.53) CYP1A2CYP3A4LMNAMAOASMN1; SMN2
SCHEMBL14570550 0.83 SMN1; SMN2 (0.51) CYP1A2CYP3A4SMN1; SMN2CYP4F2CYP4A11
SCHEMBL22454703 0.81 L3MBTL1 (0.45) CYP1A2CYP3A4SMN1; SMN2CYP4F2CYP4A11

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