SCHEMBL23401261

SCHEMBL23401261

Cc1c(O)nn(-c2ccccc2)c1C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
GRN P28799 1/20 0.43
SORT1 Q99523 1/20 0.43
KDM4C Q9H3R0 1/20 0.41
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CYP1A2 P05177 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 2/20 0.38
KDM4E B2RXH2 2/20 0.38
APEX1 P27695 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
FCGR1A P12314 1/20 0.38
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4A O75164 1/20 0.37
MAPK13 O15264 1/20 0.37

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
SCHEMBL23399792 0.86 CDK8 (0.41) ALDH1A1SMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL23398512 0.84 RIPK2 (0.47) ALDH1A1NPC1RAB9AMAPK1TDP1
SCHEMBL23403382 0.83 ALDH1A1 (0.43) ALDH1A1GRNSORT1KDM4CATM
SCHEMBL13222028 0.82 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL23401338 0.80 MAPK14 (0.41) ALDH1A1ATMMAPK1KDM4EMAPT
SCHEMBL23403039 0.80 PKM (0.46) ALDH1A1GRNSORT1KDM4CSMN1; SMN2
SCHEMBL23399715 0.79 SMN1; SMN2 (0.46) ALDH1A1GRNSORT1KDM4CSMN1; SMN2
SCHEMBL23398845 0.79 LMNA (0.40) ALDH1A1GRNSORT1SMN1; SMN2NPC1
SCHEMBL23399435 0.79 NPC1 (0.43) ALDH1A1GRNSORT1ATMSMN1; SMN2
SCHEMBL23402575 0.78 KDM4C (0.53) ALDH1A1KDM4CSMN1; SMN2NPC1RAB9A

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