SCHEMBL23399220

SCHEMBL23399220

Cc1ccc(-c2c(O)nn(-c3ccccc3)c2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.48
RAB9A P51151 7/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.48
STAT1 P42224 1/20 0.48
KDM4E B2RXH2 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
KDM4C Q9H3R0 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 3/20 0.43
APEX1 P27695 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
DCTPP1 Q9H773 1/20 0.43
HTT P42858 2/20 0.41
ALOX15 P16050 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL23398457 0.94 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL23398433 0.92 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL23399187 0.92 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL23402373 0.86 ALDH1A1 (0.44) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL23398962 0.86 NPC1 (0.47) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL23399700 0.84 CYP2C9 (0.49) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL23401405 0.84 CYP2C9 (0.49) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL23401423 0.83 RPA1 (0.52) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL13890532 0.82 MEN1 (0.56) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL23403624 0.82 NPC1 (0.43) NPC1RAB9ASMN1; SMN2MAPTALDH1A1

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