SCHEMBL23401575

SCHEMBL23401575

CCn1nc(-c2ccc(C)cc2)c(C(C)C)c1O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.38
ATM Q13315 1/20 0.37
MAPT P10636 3/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 5/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 4/20 0.35
FYN P06241 1/20 0.35
ESR1 P03372 1/20 0.35
NPC1 O15118 1/20 0.34
TP53 P04637 2/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM5A P29375 1/20 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
SCHEMBL23399406 0.88 ESR1 (0.44) RAB9AATMMAPTALDH1A1KMT2A
SCHEMBL23403349 0.87 RAB9A (0.37) RAB9AATMMAPTALDH1A1KMT2A
SCHEMBL23403662 0.86 MEN1 (0.46) ATMMAPTKMT2ANPSR1SMN1; SMN2
SCHEMBL23401581 0.86 ESR1 (0.43) RAB9AATMMAPTALDH1A1KMT2A
SCHEMBL23399402 0.83 NPC1 (0.38) RAB9AMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL23401988 0.81 RAB9A (0.41) RAB9AATMMAPTALDH1A1KMT2A
SCHEMBL23400788 0.80 RECQL (0.42) RAB9AATMMAPTALDH1A1KMT2A
SCHEMBL23399644 0.80 PIK3CD (0.40) RAB9AKMT2AMEN1ESR1NPC1
SCHEMBL23401160 0.80 RAB9A (0.40) RAB9AMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL23401897 0.79 RAB9A (0.38) RAB9AATMMAPTALDH1A1KMT2A

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