SCHEMBL23399305

SCHEMBL23399305

CCCc1c(-c2ccccc2C)nn(-c2cccc(C)c2)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 4/20 0.39
RPA1 P27694 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
ALDH1A1 P00352 2/20 0.37
LMNA P02545 4/20 0.36
TSHR P16473 4/20 0.36
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GMNN O75496 1/20 0.36
ESR1 P03372 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36

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
SCHEMBL23401307 0.94 RPA1 (0.39) USP2RPA1IDO1TDO2ALDH1A1
SCHEMBL23403473 0.90 RPA1 (0.41) USP2RPA1IDO1TDO2ALDH1A1
SCHEMBL23402986 0.89 USP2 (0.49) USP2ALDH1A1LMNATSHRMAPT
SCHEMBL23403508 0.87 CA1 (0.40) USP2ALDH1A1LMNATSHRMAPT
SCHEMBL23401195 0.86 LMNA (0.43) USP2ALDH1A1LMNATSHRMAPT
SCHEMBL23398643 0.85 RPA1 (0.46) USP2RPA1ALDH1A1LMNATSHR
SCHEMBL23400545 0.85 IDO1 (0.41) USP2RPA1IDO1TDO2ALDH1A1
SCHEMBL23402179 0.84 ALDH1A1 (0.45) USP2RPA1ALDH1A1LMNATSHR
SCHEMBL23402226 0.83 USP2 (0.45) USP2LMNATSHRMAPTNPSR1
SCHEMBL23403542 0.82 RPA1 (0.44) USP2RPA1IDO1TDO2ALDH1A1

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