SCHEMBL4550595

SCHEMBL4550595

C=C(O)Cn1ncc(C(=O)O)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TSHR P16473 1/20 0.41
LMNA P02545 2/20 0.37
NPC1 O15118 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PTPN1 P18031 4/20 0.36
RIPK2 O43353 1/20 0.35
KDM4E B2RXH2 4/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.33
KDM6B O15054 1/20 0.33
KDM4A O75164 1/20 0.33
THRB P10828 1/20 0.33
KDM4D Q6B0I6 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK14 Q16539 1/20 0.33

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
SCHEMBL2806923 0.79 ALDH1A1 (0.45) ALDH1A1TSHRLMNANPC1SMN1; SMN2
SCHEMBL27714943 0.78 ALDH1A1 (0.42) ALDH1A1TSHRLMNANPC1SMN1; SMN2
SCHEMBL4599422 0.77 ALDH1A1 (0.44) ALDH1A1TSHRLMNANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL5424757 0.76 ALDH1A1 (0.43) ALDH1A1TSHRLMNANPC1SMN1; SMN2
SCHEMBL31352127 0.75 ALDH1A1 (0.42) ALDH1A1TSHRLMNANPC1PTPN1
SCHEMBL31352358 0.75 ALDH1A1 (0.42) ALDH1A1TSHRLMNANPC1PTPN1
SCHEMBL31352138 0.73 LMNA (0.58) ALDH1A1TSHRLMNANPC1PTPN1
SCHEMBL27533039 0.73 ALDH1A1 (0.76) ALDH1A1TSHRLMNANPC1SMN1; SMN2
SCHEMBL28036519 0.73 MAPK14 (0.46) ALDH1A1LMNANPC1MAPK14GABRP
SCHEMBL7811465 0.72 MAPK14 (0.43) MAPK14

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