SCHEMBL20040342

SCHEMBL20040342

NCN1CCCCCCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.45
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CHRM5 P08912 1/20 0.39
ADRA2C P18825 1/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.37
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36
ANPEP P15144 1/20 0.36
ERAP2 Q6P179 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL19286358 1.00
SCHEMBL580308 1.00
Hydrochloric Acid SCHEMBL9334893 0.97
SCHEMBL6141 0.96
Hydrochloric Acid SCHEMBL8303248 0.93
Hydrochloric Acid SCHEMBL11313740 0.93
SCHEMBL3200905 0.89
SCHEMBL7353993 0.87
SCHEMBL10698992 0.84 LMNA (0.35) HRH3MEN1KMT2ALMNAL3MBTL1
Urea SCHEMBL7781133 0.82 L3MBTL1 (0.50) MEN1KMT2ALMNAL3MBTL1MAPT

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-3053923-B1 TRIAZOLOPYRAZINE DERIVATIVES AS TYROSIN KINASE INHIBITORS KOREA RES INST CHEMICAL TECH (KR) 2018-04-11 EP disclosed