SCHEMBL23398498

SCHEMBL23398498

Cc1ccc(-c2c(O)nn(-c3ccccc3)c2CC(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 3/20 0.41
STAT1 P42224 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.38
POLB P06746 2/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 1/20 0.37
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
DPP4 P27487 3/20 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
SCHEMBL23400813 0.95 CACNA1H (0.40) CACNA1HNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL23399480 0.93 SMN1; SMN2 (0.37) CACNA1HNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL23402222 0.92 CACNA1H (0.43) CACNA1HNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL23402032 0.89 ALDH1A1 (0.38) CACNA1HNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL23403236 0.86 RPA1 (0.45) CACNA1HNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL23402968 0.85 CCKAR (0.45) NPC1RAB9ASMN1; SMN2POLBALOX5
SCHEMBL23403101 0.85 NPC1 (0.43) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL23403066 0.85 ADORA1 (0.37) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL23398540 0.83 MAPT (0.44) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL23401099 0.82 KMT2A (0.44) CACNA1HNPC1RAB9AMAPTSMN1; SMN2

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