SCHEMBL4064412

SCHEMBL4064412

CCCC(O)Cn1ncc(C(=O)OCC)c1N

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.57
LMNA P02545 2/20 0.57
ALDH1A1 P00352 5/20 0.53
RAB9A P51151 4/20 0.51
HPGD P15428 3/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 2/20 0.51
TSHR P16473 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
TP53 P04637 1/20 0.46
HTT P42858 2/20 0.46
MAPT P10636 3/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL4072652 0.90 NPC1 (0.60) NPC1LMNAALDH1A1RAB9AHPGD
SCHEMBL9227838 0.88 NPC1 (0.58) NPC1LMNAALDH1A1RAB9AHPGD
SCHEMBL4248164 0.85 NPC1 (0.61) NPC1LMNAALDH1A1RAB9AHPGD
SCHEMBL31352277 0.84 NPC1 (0.62) NPC1LMNAALDH1A1RAB9AHPGD
SCHEMBL1137591 0.82 NPC1 (0.60) NPC1LMNAALDH1A1RAB9AHPGD
SCHEMBL173434 0.81 NPC1 (0.68) NPC1LMNAALDH1A1RAB9AHPGD
SCHEMBL25933933 0.80 NPC1 (0.55) NPC1LMNAALDH1A1RAB9AHPGD
SCHEMBL4070954 0.79 HPGD (0.60) NPC1LMNAALDH1A1RAB9AHPGD
SCHEMBL24452557 0.78 NPC1 (0.65) NPC1LMNAALDH1A1RAB9AHPGD
SCHEMBL5399382 0.77 ADA (0.33) TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2033955-A1 Urea derivatives of 1H-pyrazol-4-carboxylic acid with neutrophil chemotaxis inhibiting activity Universita' Degli Studi Di Genova (IT) 2009-03-11 EP disclosed