SCHEMBL5162140

SCHEMBL5162140

O=C(NCC1COCO1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
RAB9A P51151 3/20 0.62
NPC1 O15118 2/20 0.62
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TSHR P16473 1/20 0.50
ATM Q13315 1/20 0.49
ALDH1A1 P00352 4/20 0.48
GLA P06280 2/20 0.48
ALOX12 P18054 2/20 0.48
GAA P10253 2/20 0.47
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSK P43235 1/20 0.46
MAPT P10636 2/20 0.46
CYP1A2 P05177 1/20 0.44

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
SCHEMBL963468 0.89 HPGD (0.70) HPGDSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL6154041 0.89 HPGD (0.70) HPGDSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL4128257 0.87 HPGD (0.68) HPGDSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL30914546 0.80 HPGD (0.85) HPGDSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL15823514 0.78 CTSL (0.57) HPGDSMN1; SMN2RAB9ANPC1GAA
SCHEMBL16246640 0.76 MAPT (0.45) HPGDSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL20049434 0.76 LMNA (0.58) HPGDSMN1; SMN2RAB9ANPC1TSHR
SCHEMBL29687327 0.76 HPGD (1.00) HPGDSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL743611 0.76 HPGD (1.00) HPGDSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL30678539 0.76 HPGD (1.00) HPGDSMN1; SMN2RAB9ANPC1MEN1

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
CN-101010315-A Substituted pyrazolyl urea derivatives useful in the treatment of cancer BAYER PHARMACEUTICALS CORP (US) 2007-08-01 CN disclosed
EP-1751139-A2 SUBSTITUTED PYRAZOLYL UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Bayer Pharmaceuticals Corporation (US) 2007-02-14 EP disclosed
WO-2005110994-A2 SUBSTITUTED PYRAZOLYL UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER BAYER PHARMACEUTICALS CORPORATION (US) 2005-11-24 WO disclosed