SCHEMBL8049599

SCHEMBL8049599

CCOC(=O)CSc1nc(-c2ccccn2)nnc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
L3MBTL1 Q9Y468 3/20 0.56
RXFP1 Q9HBX9 4/20 0.47
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 3/20 0.45
PRNP P04156 2/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 1/20 0.44
MAPT P10636 3/20 0.44
PTGS2 P35354 1/20 0.43
THRB P10828 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 1/20 0.42
STAT1 P42224 1/20 0.42
RAB9A P51151 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
SCHEMBL8043550 0.91 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19L3MBTL1RXFP1
SCHEMBL8043558 0.86 TRPV1 (0.46) CYP1A2LMNATDP1ALDH1A1KDM4E
SCHEMBL8032107 0.84 HIF1A (0.45) LMNAKDM4ESMN1; SMN2TRPV1
SCHEMBL8045505 0.80 HIF1A (0.45) LMNAKDM4ESMN1; SMN2TRPV1
SCHEMBL8043588 0.80 HIF1A (0.43) LMNAALDH1A1MAPK1MAPTKDM4E
SCHEMBL8045497 0.80 TRPV1 (0.44) CYP1A2LMNAKDM4ESMN1; SMN2TRPV1
SCHEMBL8042356 0.79 HIF1A (0.50) L3MBTL1LMNAALDH1A1MAPTKDM4E
SCHEMBL8041606 0.78 HIF1A (0.51) LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL8043531 0.78 METAP1 (0.49) LMNAMAPTKDM4ENPC1NFKB1
SCHEMBL8049621 0.78 HIF1A (0.44) LMNAKDM4ESMN1; SMN2TRPV1

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