SCHEMBL11116581

SCHEMBL11116581

Cc1c(N)ccc(N=Nc2ccccc2)c1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 7/20 0.58
TDP1 Q9NUW8 7/20 0.58
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
MAPT P10636 6/20 0.58
L3MBTL1 Q9Y468 4/20 0.58
NPC1 O15118 4/20 0.58
CYP3A4 P08684 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
TSHR P16473 4/20 0.51
ALDH1A1 P00352 4/20 0.51
TP53 P04637 2/20 0.51
RAB9A P51151 4/20 0.49
PKM P14618 2/20 0.49
ATM Q13315 1/20 0.49
HBB P68871 2/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CHRM1 P11229 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
SCHEMBL29683305 0.87 MAPK1 (0.59) MAPK1TDP1MEN1KMT2AMAPT
SCHEMBL11119367 0.87 MAPK1 (0.59) MAPK1TDP1MEN1KMT2AMAPT
SCHEMBL11568458 0.87 MAPK1 (0.59) MAPK1TDP1MEN1KMT2AMAPT
SCHEMBL6345168 0.85 MAPT (0.49) MAPK1TDP1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL28411349 0.85 MAPK1 (0.58) MAPK1TDP1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL28411348 0.85 MAPK1 (0.58) MAPK1TDP1MEN1KMT2AMAPT
SCHEMBL29692284 0.85 MAPT (0.49) MAPK1TDP1MEN1KMT2AMAPT
SCHEMBL29771169 0.84 TDP1 (0.47) MAPK1TDP1MEN1KMT2AMAPT
SCHEMBL27328547 0.82 MEN1 (0.63) MAPK1TDP1MEN1KMT2AMAPT
SCHEMBL29115826 0.78 TDP1 (0.66) MAPK1TDP1MEN1KMT2AMAPT

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
EP-0109624-A2 Process for producing shaped articles made from polyurethane-polyurea which may be cellular BASF Aktiengesellschaft (DE) 1984-05-30 EP claimed