SCHEMBL8043550

SCHEMBL8043550

CCOC(=O)CCSc1nc(-c2ccccn2)nnc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
L3MBTL1 Q9Y468 5/20 0.46
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPK1 P28482 3/20 0.46
POLB P06746 2/20 0.46
KMT2A Q03164 4/20 0.42
MEN1 O00255 1/20 0.42
BRCA1 P38398 1/20 0.42
HPGD P15428 4/20 0.41
GAA P10253 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
TRPV1 Q8NER1 1/20 0.40
KDM4E B2RXH2 4/20 0.40
MAPT P10636 1/20 0.39
LMNA P02545 3/20 0.39
HIF1A Q16665 2/20 0.39
MITF O75030 1/20 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
SCHEMBL8049599 0.91 CYP1A2 (0.57) CYP1A2CYP2C9CYP2C19L3MBTL1ALDH1A1
SCHEMBL8045505 0.83 HIF1A (0.45) SMN1; SMN2TRPV1KDM4ELMNAHIF1A
SCHEMBL8032107 0.83 HIF1A (0.45) SMN1; SMN2TRPV1KDM4ELMNAHIF1A
SCHEMBL8043588 0.82 HIF1A (0.43) ALDH1A1SMN1; SMN2MAPK1NPSR1TRPV1
SCHEMBL8045497 0.82 TRPV1 (0.44) CYP1A2SMN1; SMN2KMT2ATRPV1KDM4E
SCHEMBL8043558 0.81 TRPV1 (0.46) CYP1A2ALDH1A1SMN1; SMN2TRPV1KDM4E
SCHEMBL8041606 0.81 HIF1A (0.51) SMN1; SMN2KDM4EMAPTLMNAHIF1A
SCHEMBL8049621 0.81 HIF1A (0.44) SMN1; SMN2TRPV1KDM4ELMNAHIF1A
SCHEMBL8041620 0.80 HIF1A (0.48) SMN1; SMN2TRPV1KDM4ELMNAHIF1A
SCHEMBL8041619 0.79 HIF1A (0.47) L3MBTL1SMN1; SMN2MAPK1TRPV1KDM4E

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
US-6159974-A LDL receptor gene expression promoters SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-12-12 US claimed
US-6159974-A LDL receptor gene expression promoters SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-12-12 US disclosed