SCHEMBL4970653

SCHEMBL4970653

CON(C(=O)O)c1nc2cnc3ccccc3c2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.38
TSHR P16473 1/20 0.38
HPGD P15428 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 2/20 0.35
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
MAOB P27338 1/20 0.34

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
SCHEMBL4964667 0.79 TLR8 (0.54) ALOX15TSHRHPGDALDH1A1LMNA
SCHEMBL2806860 0.70 TLR8 (0.37) ALDH1A1CYP1A2CYP2C19HTTTP53
SCHEMBL1527997 0.69 TLR7 (0.53) HPGDALDH1A1CYP1A2NPC1RAB9A
SCHEMBL2402374 0.69 KDM4E (0.46) ALOX15HPGDALDH1A1CYP1A2KDM4E
SCHEMBL2807423 0.68 CYP1A2 (0.61) TSHRHPGDALDH1A1CYP1A2CYP3A4
SCHEMBL1528140 0.68 SMN1; SMN2 (0.43) HPGDCYP1A2CYP2C19HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL10689240 0.68 TLR7 (0.51) HPGDALDH1A1CYP1A2NPC1RAB9A
SCHEMBL2806858 0.67 TP53 (0.39) HPGDALDH1A1HTTTP53SMN1; SMN2
SCHEMBL4970650 0.67 KMT2A (0.40) ALDH1A1CYP1A2CYP2C19HTTLMNA
SCHEMBL6312166 0.66 KDM4E (0.43) HPGDALDH1A1LMNASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1877056-A2 OXIME AND HYDROXYLAMINE SUBSTITUTED THIAZOLOÝ4,5-C¨RING COMPOUNDS AND METHODS Coley Pharmaceutical Group, Inc. (US) 2008-01-16 EP disclosed
WO-2007120121-A2 OXIME AND HYDROXYLAMINE SUBSTITUTED THIAZOLO[4,5-C] RING COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-10-25 WO disclosed