SCHEMBL5206436

SCHEMBL5206436

CCc1ccc(Oc2cnc(N)nc2NC2(O)CCCCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ICAM1 P05362 1/20 0.35
SELE P16581 1/20 0.35
VCAM1 P19320 1/20 0.35
DHFR P00374 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TSHR P16473 3/20 0.33
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PKM P14618 1/20 0.33
CTSK P43235 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
SCHEMBL5207644 0.88 MAPT (0.35) MAPTNPC1RAB9AICAM1SELE
SCHEMBL5206305 0.85 MAPT (0.33) MAPTNPC1RAB9AICAM1SELE
SCHEMBL5207523 0.85 CCNC (0.39) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1375252 0.76 MAPT (0.41) MAPTSMN1; SMN2NPC1RAB9AICAM1
SCHEMBL5206507 0.74 SLC6A2 (0.39) MAPTSMN1; SMN2NPC1RAB9AICAM1
SCHEMBL6480339 0.74 MAPT (0.44) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL7157258 0.74 MERTK (0.42) MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL5207653 0.74 POLB (0.38) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL7157262 0.74 MERTK (0.42) MAPTSMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL5203349 0.73 MERTK (0.41) MAPTSMN1; SMN2NPC1RAB9A

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
EP-1165523-B1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC (US) 2007-11-07 EP claimed
EP-1165523-B1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC (US) 2007-11-07 EP disclosed
US-6916820-B1 Neurotrophic substituted pyrimidines KRENITSKY PHARMACEUTICALS, INC. (US) 2005-07-12 US disclosed