SCHEMBL11060871

SCHEMBL11060871

O=c1cc(CO)nc2ccn(-c3ccccc3)n12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.38
P2RX7 Q99572 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 5/20 0.36
HPGD P15428 4/20 0.36
HSD17B10 Q99714 3/20 0.36
COMT P21964 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
CXCR2 P25025 2/20 0.34
MEN1 O00255 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
APLNR P35414 1/20 0.33
PKM P14618 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL11062034 0.86 ALDH1A1 (0.43) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11070298 0.81 ALDH1A1 (0.41) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL11061040 0.80 ALDH1A1 (0.34) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL30132372 0.72 PKM (0.57) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A
SCHEMBL11070521 0.72 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDSMN1; SMN2NPC1
SCHEMBL11067252 0.66 FABP3 (0.38) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL11067299 0.65 MEN1 (0.43) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL23726440 0.64 METTL3 (0.46) L3MBTL1ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL15603518 0.61 L3MBTL1 (0.56) NOTUMP2RX7L3MBTL1ALDH1A1KDM4E
SCHEMBL7190498 0.61 SMN1; SMN2 (0.55) NOTUMALDH1A1KDM4EHPGDHSD17B10

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
US-4490376-A ANTIULCER AND SECRETORY AGENTS FARMITALIA CARLO ERBA S.P.A (IT) 1984-12-25 US disclosed