SCHEMBL23400978

SCHEMBL23400978

Cc1cccc(-c2nn(C(C)C)c(O)c2-c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.49
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PIK3CD O00329 2/20 0.41
PIK3CB P42338 2/20 0.41
PIK3CG P48736 2/20 0.41
ABL1 P00519 1/20 0.41
EGFR P00533 1/20 0.41
HCK P08631 1/20 0.41
KDR P35968 1/20 0.41
PIK3CA P42336 1/20 0.41
MTOR P42345 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
SCHEMBL23403476 0.93 SRC (0.48) SRCNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL23402056 0.86 KMT2A (0.45) SRCSMN1; SMN2L3MBTL1PIK3CDPIK3CB
SCHEMBL23398571 0.85 TDP1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL23399335 0.85 TDP1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL23399630 0.84 SRC (0.52) SRCNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL23402260 0.82 NPC1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1NFKB1
SCHEMBL23401299 0.81 SRC (0.50) SRCNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL23402010 0.81 NPC1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1NFKB1
SCHEMBL23403497 0.80 SRC (0.49) SRCNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL31617380 0.79 SRC (0.51) SRCNPC1RAB9APIK3CDPIK3CB

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed