SCHEMBL1733833

SCHEMBL1733833

O=C(O)Oc1cn2cc(-c3ccc(CO)o3)ccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
KDM4E B2RXH2 6/20 0.41
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP1A2 P05177 2/20 0.41
NPC1 O15118 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
CYP2A6 P11509 1/20 0.36
HIF1A Q16665 3/20 0.35
EPAS1 Q99814 3/20 0.35
DDAH1 O94760 1/20 0.35
POLB P06746 2/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
EGLN1 Q9GZT9 3/20 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
SCHEMBL15419069 0.85 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTSMN1; SMN2CYP2C19
SCHEMBL1733831 0.81 PTGS1 (0.43) ALDH1A1KDM4EMAPTSMN1; SMN2CYP2C19
SCHEMBL3764681 0.77 KDM4E (0.59) ALDH1A1KDM4EMAPTSMN1; SMN2CYP2C19
SCHEMBL1735826 0.77 ADORA2A (0.59) ALDH1A1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL217845 0.77 ALDH1A3 (0.58) ALDH1A1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL216669 0.74 NR4A2 (0.49) ALDH1A1KDM4ESMN1; SMN2NPC1CYP2C9
SCHEMBL219498 0.74 NPC1 (0.56) ALDH1A1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL2439713 0.74 NR4A2 (0.58) ALDH1A1CYP2C9EGLN1
SCHEMBL217206 0.73 ALDH1A3 (0.54) ALDH1A1KDM4ESMN1; SMN2NPC1CYP2C9
SCHEMBL219492 0.73 NPC1 (0.57) ALDH1A1KDM4EMAPTSMN1; 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-2225240-B1 Derivatives of 6-heterocyclic-imidazo[1,2-a]pyridine-2-carboxamides, preparation thereof and therapeutic application thereof SANOFI SA (FR) 2014-01-22 EP claimed
EP-2225243-B1 Derivatives of N-heterocyclic-6-heterocyclic-imidazo[1,2-a]pyridine-2-carboxamides, preparation thereof and therapeutic application thereof SANOFI SA (FR) 2011-11-16 EP claimed