SCHEMBL360852

SCHEMBL360852

COc1ccc2nc(-n3ccc(N)n3)sc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
TSHR P16473 1/20 0.58
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C19 P33261 2/20 0.57
APP P05067 3/20 0.50
PDK1 Q15118 1/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
PKM P14618 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SLC11A2 P49281 1/20 0.45
ILK Q13418 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44

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
SCHEMBL360263 0.81 RAB9A (0.55) MAPTCYP1A2CYP3A4CYP2C19APP
SCHEMBL359189 0.80 HTT (0.54) MAPTAPPNPC1RAB9ATP53
SCHEMBL12505621 0.80 RAB9A (0.38) MAPTTSHRAPPNPC1RAB9A
SCHEMBL29683488 0.74 CYP3A4 (1.00) MAPTTSHRCYP1A2CYP3A4CYP2C19
SCHEMBL22358 0.74 CYP3A4 (1.00) MAPTTSHRCYP1A2CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL11423357 0.72 CYP3A4 (0.97) MAPTTSHRCYP1A2CYP3A4CYP2C19
Ammonia Solution, Strong SCHEMBL7998249 0.72 CYP3A4 (0.97) MAPTTSHRCYP1A2CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL11151690 0.72 CYP3A4 (0.97) MAPTTSHRCYP1A2CYP3A4CYP2C19
SCHEMBL371310 0.71 CA1 (0.42) MAPTNPC1RAB9ASMN1; SMN2CA12
SCHEMBL3468767 0.70 MAPT (0.65) MAPTTSHRCYP1A2CYP3A4CYP2C19

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
WO-2012007510-A1 COMPOUNDS FOR BINDING AND IMAGING AMYLOID PLAQUES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-19 WO disclosed