SCHEMBL9728665

SCHEMBL9728665

Cc1cccc(C(=O)Nc2nc(=O)c3ccccc3[nH]2)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.57
RAB9A P51151 9/20 0.57
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
PKM P14618 3/20 0.52
OPRK1 P41145 1/20 0.52
KLF5 Q13887 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
IRAK4 Q9NWZ3 3/20 0.50
MAOB P27338 2/20 0.50
ADORA2A P29274 2/20 0.50
MET P08581 1/20 0.49
FOXO1 Q12778 1/20 0.49
GRM5 P41594 1/20 0.49
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL9728922 0.86 NPC1 (0.70) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL9728941 0.86 NPC1 (0.67) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL9728432 0.84 NPC1 (0.56) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL8558926 0.84 RAB9A (0.81) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL9729182 0.79 NPC1 (0.70) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL30387611 0.79 NPC1 (0.70) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL9729002 0.79 ALPL (0.51) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL9728591 0.79 NPC1 (0.59) NPC1RAB9AMEN1KMT2APKM
SCHEMBL9728959 0.78 RAB9A (0.72) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL7456210 0.77 LMNA (0.65) NPC1RAB9AMEN1KMT2ALMNA

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