SCHEMBL14839378

SCHEMBL14839378

Cc1cc(C)c(Nc2cc(C)c(N=Nc3c(C#N)c(C(C)(C)C)cn3-c3nc4ccccc4s3)c(Nc3c(C)cc(C)cc3C)n2)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CASR P41180 3/20 0.31
▸ LMNA P02545 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ LCK P06239 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ PHGDH O43175 1/20 0.30

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
SCHEMBL18155211 0.86 MAPK1 (0.36) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL11964681 0.86 MAPK1 (0.36) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL13665986 0.82 RAB9A (0.35) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL16261328 0.80 MAPK1 (0.39) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL13666012 0.76 MAPK1 (0.37) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL13703873 0.76 — —
SCHEMBL12191548 0.74 NPC1 (0.33) NPC1RAB9AMEN1MAPK1KMT2A
SCHEMBL13915398 0.74 CA12 (0.33) —
SCHEMBL10331480 0.74 NPC1 (0.33) NPC1RAB9AMEN1MAPK1KMT2A
SCHEMBL13665987 0.74 RAB9A (0.42) NPC1RAB9AMAPTKDM4EALDH1A1

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-2013047859-A1 COLORING COMPOSITION, COLORED PATTERN, COLOR FILTER AND METHOD OF PRODUCING THE SAME, PATTERN FORMING METHOD, SOLID-STATE IMAGING DEVICE, AND IMAGE DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2013-04-04 — — WO disclosed
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