SCHEMBL23400960

SCHEMBL23400960

CCCCc1c(O)c(-c2ccc(C)cc2)nn1C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 6/20 0.37
ABL1 P00519 5/20 0.37
PIK3CD O00329 4/20 0.37
EGFR P00533 4/20 0.37
HCK P08631 4/20 0.37
KDR P35968 4/20 0.37
PIK3CA P42336 4/20 0.37
PIK3CB P42338 4/20 0.37
MTOR P42345 4/20 0.37
PIK3CG P48736 4/20 0.37
EPHB4 P54760 4/20 0.37
PRKDC P78527 4/20 0.37
PI4KB Q9UBF8 4/20 0.37
GCGR P47871 1/20 0.37
ADORA3 P0DMS8 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ATM Q13315 1/20 0.34
RET P07949 1/20 0.34
ALDH1A1 P00352 2/20 0.33

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
SCHEMBL23401431 0.88 HDAC8 (0.40) SRCABL1PIK3CDEGFRHCK
SCHEMBL23400785 0.86 PIK3CD (0.40) SRCABL1PIK3CDEGFRHCK
SCHEMBL23402825 0.83 GCGR (0.41) SRCABL1PIK3CDEGFRHCK
SCHEMBL23402320 0.82 SMN1; SMN2 (0.37) GCGRADORA3NPC1RAB9AATM
SCHEMBL23402105 0.82 PIK3CD (0.39) SRCABL1PIK3CDEGFRHCK
SCHEMBL23398724 0.82 MEN1 (0.38) GCGRADORA3NPC1RAB9AATM
SCHEMBL23403256 0.81 GCGR (0.42) GCGRADORA3NPC1RAB9ASMN1; SMN2
SCHEMBL23398824 0.81 ESR1 (0.44) NPC1RAB9AALDH1A1SMN1; SMN2ESR1
SCHEMBL23400467 0.81 ESR1 (0.44) ADORA3NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL23398443 0.81 MEN1 (0.41) ADORA3NPC1RAB9AALDH1A1SMN1; SMN2

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