SCHEMBL5028345

SCHEMBL5028345

COc1ccc(OC(=O)c2cc(N)[nH]n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 4/20 0.43
ALPL P05186 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
THRB P10828 1/20 0.42
KMT2A Q03164 1/20 0.42
DYRK1A Q13627 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.41
PRSS1 P07477 1/20 0.41
ACR P10323 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL14036894 0.83 DAO (0.50) LMNASMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL1009738 0.79 MAPK1 (0.65) CYP1A2MAPTALPLNPC1RAB9A
Ammonia Solution, Strong SCHEMBL1009944 0.77 MAPK1 (0.62) CYP1A2MAPTALPLNPC1RAB9A
Hydrochloric Acid SCHEMBL14785045 0.77 MAPK1 (0.62) CYP1A2MAPTALPLNPC1RAB9A
SCHEMBL10710630 0.74 LMNA (0.51) LMNASMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL930612 0.71 KMT2A (0.52) LMNACYP1A2MAPTNPC1RAB9A
SCHEMBL14688318 0.71 MAPK1 (0.42) LMNANPC1RAB9AALDH1A1MAPK1
SCHEMBL8368151 0.70 MAPT (0.58) LMNASMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL30060739 0.70 TSHR (0.49) LMNASMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL7378141 0.70 KDM4C (0.45) LMNASMN1; SMN2CYP1A2CYP2C9CYP2C19

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-2453496-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, NOVEL COMPOUND, LIGHTING DEVICE AND DISPLAY DEVICE Konica Minolta Holdings, Inc. (JP) 2012-05-16 EP disclosed