SCHEMBL9729002

SCHEMBL9729002

Cc1ccccc1C(=O)Nc1nc(=O)c2ccccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.51
NPC1 O15118 9/20 0.50
RAB9A P51151 9/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
PKM P14618 3/20 0.49
LMNA P02545 2/20 0.49
HSP90AA1 P07900 1/20 0.49
PAX8 Q06710 1/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.47
PARP1 P09874 1/20 0.46
OPRK1 P41145 1/20 0.46
KLF5 Q13887 1/20 0.46
TYK2 P29597 1/20 0.46
KDM4E B2RXH2 2/20 0.46
NFKB1 P19838 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL16384129 0.84 RAB9A (0.72) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL2243443 0.82 NPC1 (0.72) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL9728922 0.82 NPC1 (0.70) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL9728941 0.81 NPC1 (0.67) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL7456210 0.80 LMNA (0.65) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL9728665 0.79 NPC1 (0.57) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL11705432 0.77 IRAK4 (0.58) ALPLNPC1RAB9AKMT2AMEN1
SCHEMBL30387611 0.76 NPC1 (0.70) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL9729182 0.76 NPC1 (0.70) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL9728959 0.76 RAB9A (0.72) NPC1RAB9AKMT2AMEN1SMN1; SMN2

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-5084457-A Cognition activators and nervous system disorders AMERICAN CYANAMID COMPANY (US) 1992-01-28 US disclosed