SCHEMBL13891775

SCHEMBL13891775

C=C(Nc1ccc2ncccc2c1)Nc1ccc2ncccc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.71
POLB P06746 3/20 0.71
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
MAPT P10636 2/20 0.71
PABPC1 P11940 1/20 0.61
RAB9A P51151 7/20 0.61
ALDH1A1 P00352 5/20 0.55
TSHR P16473 2/20 0.55
HSD17B10 Q99714 2/20 0.55
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
HTT P42858 2/20 0.53
NAMPT P43490 1/20 0.53
NOTUM Q6P988 1/20 0.51

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
SCHEMBL27599138 0.83 NPC1 (0.77) NPC1POLBMEN1KMT2AMAPT
SCHEMBL31054249 0.83 NPC1 (1.00) NPC1POLBMEN1KMT2AMAPT
SCHEMBL651929 0.83 NPC1 (1.00) NPC1POLBMEN1KMT2AMAPT
SCHEMBL13609773 0.82 NPC1 (0.68) NPC1POLBMEN1KMT2AMAPT
SCHEMBL4890353 0.81 NPC1 (0.79) NPC1POLBMEN1KMT2AMAPT
SCHEMBL30741445 0.81 NPC1 (0.79) NPC1POLBMEN1KMT2AMAPT
SCHEMBL7774453 0.80 NPC1 (0.67) NPC1POLBMEN1KMT2AMAPT
SCHEMBL31084267 0.80 NPC1 (0.67) NPC1POLBMEN1KMT2AMAPT
SCHEMBL4526983 0.80 NPC1 (0.67) NPC1POLBMEN1KMT2AMAPT
SCHEMBL10310270 0.80 NPC1 (0.67) NPC1POLBMEN1KMT2AMAPT

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
WO-2009020677-A9 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING UNIV ROCHESTER (US) 2009-04-16 WO disclosed
WO-2009020677-A2 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING UNIVERSITY OF ROCHESTER (US) 2009-02-12 WO disclosed