SCHEMBL8550422

SCHEMBL8550422

CCOC(=O)Cc1sc(Sc2cc(C(=O)OCC)nc3c(OC)cccc23)nc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
GAA P10253 3/20 0.40
HPGD P15428 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
USP2 O75604 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 2/20 0.39
MAPK1 P28482 2/20 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
SCHEMBL8543461 0.83 KDM4E (0.42) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL8545150 0.80 GAA (0.43) KDM4ECYP2C9MEN1KMT2AALDH1A1
SCHEMBL8550467 0.76 CYP1A2 (0.50) KDM4ECYP1A2MEN1KMT2AALDH1A1
SCHEMBL8543469 0.76 KDM4E (0.41) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL8546692 0.73 CYP1A2 (0.50) KDM4ECYP1A2CYP3A4CYP2C9MEN1
SCHEMBL3288484 0.72 CYP1A2 (0.49) KDM4ECYP1A2CYP3A4CYP2C9MEN1
SCHEMBL8551235 0.72 ALDH1A1 (0.39) KDM4ECYP1A2MEN1KMT2AALDH1A1
SCHEMBL8551379 0.70 KDM4E (0.49) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL8550254 0.70 TRPM8 (0.46) CYP1A2CYP2C9ALDH1A1LMNAGAA
SCHEMBL8549346 0.70 LMNA (0.53) KDM4ECYP1A2CYP2C9ALDH1A1LMNA

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-0714393-B1 THIAZOLES AS ANTIVIRAL PFIZER (US) 1998-09-23 EP disclosed
US-5789408-A Antiviral thiazoles PFIZER INC. (US) 1998-08-04 US disclosed