SCHEMBL23398986

SCHEMBL23398986

Cc1ccccc1-c1c(O)c(C)nn1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.41
HPGD P15428 5/20 0.41
MAPT P10636 4/20 0.37
RAB9A P51151 6/20 0.36
ALOX15 P16050 2/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 2/20 0.35
NPC1 O15118 5/20 0.34
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
TP53 P04637 2/20 0.33
ALDH1A1 P00352 2/20 0.33

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
SCHEMBL23401267 0.86 GABRA1 (0.35) SMN1; SMN2HPGDMAPTRAB9AALOX15
SCHEMBL23400851 0.83 SRC (0.40) SMN1; SMN2HPGDMAPTRAB9ATSHR
SCHEMBL23399164 0.83 HEXA (0.38) SMN1; SMN2HPGDMAPTRAB9AALOX15
SCHEMBL23400145 0.82 SMN1; SMN2 (0.35) SMN1; SMN2HPGDMAPTRAB9AALOX15
SCHEMBL23402616 0.81 USP2 (0.35) SMN1; SMN2HPGDMAPTRAB9AALOX15
SCHEMBL23402319 0.81 TP53 (0.42) SMN1; SMN2HPGDMAPTRAB9AALOX15
SCHEMBL23401125 0.80 SMN1; SMN2 (0.33) SMN1; SMN2HPGDMAPTRAB9AALOX15
SCHEMBL23399277 0.79 SMN1; SMN2 (0.54) SMN1; SMN2HPGDMAPTRAB9ATSHR
SCHEMBL23402885 0.79 TDP2 (0.39) SMN1; SMN2HPGDMAPTRAB9AALOX15
SCHEMBL23403129 0.77 HIF1A (0.53) SMN1; SMN2HPGDMAPTRAB9AALOX15

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