SCHEMBL7512966

SCHEMBL7512966

O=c1ccnc(CCBr)n1-c1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
MAPT P10636 1/20 0.33
MAPK14 Q16539 1/20 0.33
MGLL Q99685 1/20 0.33
PDE10A Q9Y233 1/20 0.32
NPC1 O15118 1/20 0.32
CYP2C19 P33261 1/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
EP300 Q09472 1/20 0.32
CREBBP Q92793 1/20 0.32
KAT2A Q92830 1/20 0.32
KAT2B Q92831 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL1483873 0.81 SMN1; SMN2 (0.41) GSK3AGSK3BMAPTNPC1CYP2C19
SCHEMBL7511370 0.81 TAAR1 (0.42) GSK3AGSK3BPDE10ANPC1CYP2C19
SCHEMBL1484114 0.70 GSK3A (0.36) GSK3AGSK3BMAPK14MGLLNPC1
SCHEMBL28310362 0.67 GRM5 (0.45) MAPK14NPC1CYP2C19POLBKDM4E
SCHEMBL12830077 0.67 GSK3A (0.36) GSK3AGSK3BMGLLPOLBKDM4E
SCHEMBL29738155 0.63 ADORA2B (0.40) MAPTNPC1CYP2C19KDM4EHPGD
SCHEMBL17537368 0.61 GSK3A (0.55) GSK3AGSK3BMGLLPOLBKDM4E
SCHEMBL29407807 0.61 HPGD (0.48) MAPTCYP2C19HPGDEP300CREBBP
SCHEMBL11286754 0.58 NOTUM (0.38) MAPTNPC1POLBKDM4EHPGD
SCHEMBL12660985 0.58 MGLL (0.48) GSK3AGSK3BMGLLPOLBKDM4E

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
WO-2001019800-A9 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO CURIS INC (US) 2002-10-03 WO disclosed
EP-1216234-A2 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO Curis, Inc. (US) 2002-06-26 EP disclosed
WO-2001019800-A2 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO CURIS, INC. (US) 2001-03-22 WO disclosed