SCHEMBL23401307

SCHEMBL23401307

CCCCc1c(-c2ccccc2C)nn(-c2cccc(C)c2)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
ALDH1A1 P00352 1/20 0.36
USP2 O75604 2/20 0.36
LMNA P02545 2/20 0.35
CTSK P43235 1/20 0.35
HSD11B1 P28845 1/20 0.35
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 2/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34

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
SCHEMBL23399305 0.94 USP2 (0.39) RPA1IDO1TDO2ALDH1A1USP2
SCHEMBL23403473 0.89 RPA1 (0.41) RPA1IDO1TDO2ALDH1A1USP2
SCHEMBL23402226 0.89 USP2 (0.45) USP2LMNANPC1TP53NFKB1
SCHEMBL23402978 0.87 CA1 (0.39) ALDH1A1USP2LMNANPC1RAB9A
SCHEMBL23402551 0.87 DCTPP1 (0.39) ALDH1A1USP2LMNANPC1TP53
SCHEMBL23402787 0.86 RPA1 (0.45) RPA1ALDH1A1USP2LMNAHSD11B1
SCHEMBL23400291 0.84 ALDH1A1 (0.44) RPA1ALDH1A1USP2LMNACTSK
SCHEMBL23400545 0.84 IDO1 (0.41) RPA1IDO1TDO2ALDH1A1USP2
SCHEMBL23398560 0.83 LMNA (0.41) RPA1ALDH1A1USP2LMNACTSK
SCHEMBL23402986 0.83 USP2 (0.49) ALDH1A1USP2LMNANPC1TP53

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