SCHEMBL14401871

SCHEMBL14401871

CCc1nn(-c2nc3ccccc3s2)cc1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 6/20 0.45
▸ CA2 P00918 6/20 0.45
▸ CA9 Q16790 6/20 0.45
▸ CA1 P00915 2/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPC1 O15118 5/20 0.43
▸ RAB9A P51151 5/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MAPT P10636 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL28743876 0.77 CA12 (0.47) CA12CA2CA9CA1MEN1
SCHEMBL13925672 0.71 CA12 (0.43) CA12CA2CA9CA1MEN1
SCHEMBL12199365 0.66 MAPK1 (0.45) MEN1MAPK1KMT2ANPC1RAB9A
SCHEMBL2743096 0.65 RAB9A (0.60) MEN1MAPK1KMT2ANPC1RAB9A
SCHEMBL12199399 0.65 MAPK1 (0.53) MEN1MAPK1KMT2ANPC1RAB9A
SCHEMBL18741279 0.64 RAB9A (0.46) MEN1MAPK1KMT2ANPC1RAB9A
SCHEMBL30164081 0.63 RAB9A (0.69) MEN1MAPK1KMT2ANPC1RAB9A
SCHEMBL29232404 0.63 RAB9A (0.69) MEN1MAPK1KMT2ANPC1RAB9A
SCHEMBL18662176 0.63 GAA (0.35) MEN1MAPK1KMT2APOLBLMNA
SCHEMBL5324725 0.62 ALDH1A1 (0.50) MEN1MAPK1KMT2ANPC1RAB9A

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-1850178-A2 Dye-containing negative curable composition, color filter and method for producing the same FUJIFILM Corporation (JP) 2007-10-31 — — EP disclosed
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