SCHEMBL4785507

SCHEMBL4785507

COC(=O)Oc1sccc1NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.44
NPC1 O15118 1/20 0.38
ATR Q13535 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
PSMB8 P28062 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
MAPT P10636 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
SCHEMBL6242277 0.88 METAP1 (0.46) METAP1NPC1ATRSMN1; SMN2CA12
SCHEMBL4784848 0.84 METAP1 (0.44) METAP1NPC1SMN1; SMN2CA12CA1
SCHEMBL5240239 0.82 MAPT (0.41) NPC1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL4608245 0.80 CYP1A2 (0.48) SMN1; SMN2MEN1KMT2AHPGDALDH1A1
SCHEMBL9291119 0.79 METAP1 (0.50) METAP1NPC1ATRSMN1; SMN2MEN1
SCHEMBL5728169 0.78 KMT2A (0.41) METAP1ATRSMN1; SMN2MEN1KMT2A
SCHEMBL14510093 0.77 METAP1 (0.49) METAP1NPC1SMN1; SMN2CA12CA1
SCHEMBL2106155 0.77 NPC1 (0.66) NPC1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL437283 0.76 METAP1 (0.48) METAP1NPC1ATRSMN1; SMN2MEN1
SCHEMBL395773 0.76 METAP1 (0.48) METAP1NPC1ATRSMN1; SMN2CA12

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-1597247-B1 SUBSTITUTED 3-(BENZOYLUREIDO)-THIOPHENE DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF SANOFI AVENTIS DEUTSCHLAND (DE) 2008-07-23 EP disclosed