SCHEMBL23399008

SCHEMBL23399008

Cc1ccccc1-c1cc(O)nn1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 1/20 0.43
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HPGD P15428 3/20 0.41
ALOX15 P16050 2/20 0.41
MAPT P10636 2/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
FLT1 P17948 1/20 0.38
CDK8 P49336 1/20 0.38
CDK9 P50750 1/20 0.38
LIMK1 P53667 1/20 0.38
ROCK1 Q13464 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
NPC1 O15118 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL14464275 0.81 RAB9A (0.41) ESRRARAB9ASMN1; SMN2HPGDALOX15
SCHEMBL8486970 0.81 HSD11B1 (0.44) RAB9ASMN1; SMN2HPGDALOX15MAPT
SCHEMBL3762041 0.80 ESRRA (0.48) ESRRARAB9ASMN1; SMN2HPGDALOX15
SCHEMBL23400547 0.79 ESR1 (0.40) RAB9ASMN1; SMN2HPGDALOX15MAPT
SCHEMBL23402508 0.78 FABP3 (0.51) RAB9AHPGDMAPTUSP2TSHR
SCHEMBL23403109 0.78 ALDH1A1 (0.49) RAB9ASMN1; SMN2HPGDALOX15MAPT
SCHEMBL23398859 0.78 HTR2C (0.38) RAB9ASMN1; SMN2HPGDALOX15MAPT
SCHEMBL23399354 0.78 RAB9A (0.38) RAB9ASMN1; SMN2HPGDALOX15MAPT
SCHEMBL23398555 0.78 RAB9A (0.38) RAB9ASMN1; SMN2HPGDALOX15MAPT
SCHEMBL23402491 0.77 SMPD1 (0.41) TSHR

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