SCHEMBL23402158

SCHEMBL23402158

Cc1ccccc1-c1nn(C(C)C)cc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
RAB9A P51151 5/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
HPGD P15428 5/20 0.39
ALOX15 P16050 3/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
USP2 O75604 2/20 0.39
TSHR P16473 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
ADORA2A P29274 1/20 0.37
NPC1 O15118 4/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 2/20 0.36
GLA P06280 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL23401537 0.80 BRD4 (0.36) MAPTRAB9ASMN1; SMN2HPGDALOX15
SCHEMBL23402215 0.79 DRD4 (0.42) MAPTRAB9ASMN1; SMN2HPGDALOX15
SCHEMBL23399484 0.78 S1PR1 (0.35) MAPTRAB9ASMN1; SMN2HPGDALOX15
SCHEMBL23399527 0.77 KMT2A (0.43) MAPTRAB9ASMN1; SMN2HPGDUSP2
SCHEMBL23400835 0.75 SMN1; SMN2 (0.38) MAPTRAB9ASMN1; SMN2HPGDALOX15
SCHEMBL23402655 0.75 NPC1 (0.47) MAPTRAB9ASMN1; SMN2HPGDUSP2
SCHEMBL23401532 0.75 RAB9A (0.38) MAPTRAB9ASMN1; SMN2HPGDALOX15
SCHEMBL23401227 0.75 ADORA3 (0.40) MAPTRAB9ASMN1; SMN2HPGDALOX15
SCHEMBL23400069 0.72 RAB9A (0.41) MAPTRAB9ASMN1; SMN2TSHRGABRA1
SCHEMBL31617674 0.72 ESR1 (0.39) MAPTRAB9ASMN1; SMN2HPGDALOX15

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