SCHEMBL6649845

SCHEMBL6649845

CCCc1ccncc1-c1nc(-c2ccc(F)c(F)c2)cs1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.59
NPC1 O15118 2/20 0.59
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPK1 P28482 1/20 0.51
SREBF2 Q12772 8/20 0.47
MAPT P10636 3/20 0.44
ATM Q13315 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
LMNA P02545 2/20 0.44
RECQL P46063 1/20 0.44
AR P10275 1/20 0.43
CYP19A1 P11511 3/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL6649838 0.86 KDM4E (0.59) RAB9ANPC1KDM4EALDH1A1SREBF2
SCHEMBL6648190 0.85 KDM4E (0.52) RAB9ANPC1KDM4EALDH1A1SREBF2
SCHEMBL6648508 0.85 KDM4E (0.51) RAB9ANPC1KDM4EALDH1A1SREBF2
SCHEMBL6647164 0.84 KDM4E (0.59) RAB9ANPC1KDM4EALDH1A1SREBF2
SCHEMBL6649085 0.84 KDM4E (0.59) RAB9ANPC1KDM4EALDH1A1SREBF2
SCHEMBL6649816 0.83 CDC25A (0.55) RAB9ANPC1KDM4EALDH1A1SREBF2
SCHEMBL6647985 0.83 RAB9A (0.64) RAB9ANPC1KDM4EALDH1A1MAPK1
SCHEMBL6654411 0.82 CYP19A1 (0.55) RAB9ANPC1KDM4EALDH1A1SREBF2
SCHEMBL6649374 0.81 SREBF2 (0.59) RAB9ANPC1KDM4EALDH1A1MAPK1
SCHEMBL6650443 0.81 SREBF2 (0.55) RAB9ANPC1KDM4EALDH1A1SREBF2

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-1432706-A2 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS Bayer Pharmaceuticals Corporation (US) 2004-06-30 EP disclosed
WO-2003027085-A2 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed