SCHEMBL23401968

SCHEMBL23401968

Cc1ccccc1-c1cn(C)nc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.39
RAB9A P51151 4/20 0.39
HPGD P15428 3/20 0.39
MAPT P10636 3/20 0.39
NFKB1 P19838 3/20 0.39
NFKB2 Q00653 3/20 0.39
RELA Q04206 3/20 0.39
ALOX15 P16050 2/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.39
PKM P14618 2/20 0.39
NPC1 O15118 4/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
DRD4 P21917 1/20 0.38
MEN1 O00255 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
SCHEMBL11829511 0.80 RAB9A (0.42) SMN1; SMN2RAB9AHPGDMAPTUSP2
SCHEMBL23403679 0.80 ADORA3 (0.41) BRD4SMN1; SMN2RAB9AHPGDMAPT
SCHEMBL23401529 0.80 TLR8 (0.41) BRD4SMN1; SMN2RAB9AHPGDMAPT
SCHEMBL23401229 0.79 TRPM8 (0.41) BRD4SMN1; SMN2RAB9AHPGDMAPT
SCHEMBL23403638 0.79 BRD4 (0.36) BRD4SMN1; SMN2RAB9AHPGDMAPT
SCHEMBL23401537 0.79 BRD4 (0.36) BRD4SMN1; SMN2RAB9AHPGDMAPT
SCHEMBL23398570 0.79 TLR8 (0.43) BRD4SMN1; SMN2RAB9AMAPTTSHR
SCHEMBL23402215 0.78 DRD4 (0.42) BRD4SMN1; SMN2RAB9AHPGDMAPT
SCHEMBL23400779 0.78 NPC1 (0.41) SMN1; SMN2RAB9AHPGDMAPTNFKB1
SCHEMBL19207044 0.78 BRD4 (0.41) BRD4RAB9AHPGDMAPTNFKB1

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