SCHEMBL9912435

SCHEMBL9912435

O=C(CO)Nc1ccon1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAPDH P04406 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.54
ATM Q13315 1/20 0.51
RAB9A P51151 3/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
KDM4E B2RXH2 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CASP1 P29466 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL147658 0.83 GAPDH (0.56) GAPDHL3MBTL1ATMRAB9ANPC1
SCHEMBL1428340 0.83 GAPDH (0.56) GAPDHL3MBTL1ATMRAB9ANPC1
SCHEMBL4109619 0.83 ATM (0.58) GAPDHL3MBTL1ATMRAB9ANPC1
SCHEMBL13149779 0.80 GAPDH (0.57) GAPDHL3MBTL1ATMRAB9ANPC1
SCHEMBL13059408 0.80 ATM (0.59) GAPDHL3MBTL1ATMRAB9ANPC1
SCHEMBL19116648 0.79 SMN1; SMN2 (0.58) GAPDHL3MBTL1ATMRAB9ANPC1
SCHEMBL13002465 0.79 GAPDH (0.52) GAPDHL3MBTL1ATMRAB9ANPC1
SCHEMBL12630123 0.79 ATM (0.54) GAPDHL3MBTL1ATMRAB9ANPC1
SCHEMBL1033633 0.79 GAPDH (0.52) GAPDHL3MBTL1ATMRAB9ANPC1
Hydrochloric Acid SCHEMBL3090336 0.79 GAPDH (0.56) GAPDHL3MBTL1ATMRAB9ANPC1

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-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed