SCHEMBL21077995

SCHEMBL21077995

O=C1NCC2(CCN(I)CC2)N1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLD2 O14939 1/20 0.41
PLD1 Q13393 1/20 0.41
MMP13 P45452 2/20 0.39
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
ALOX5 P09917 2/20 0.36
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALOX12 P18054 2/20 0.34
G6PD P11413 1/20 0.34
ALOX15 P16050 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
ALDH1A1 P00352 2/20 0.34
ATM Q13315 1/20 0.34
OPRM1 P35372 3/20 0.33
OPRD1 P41143 3/20 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
SCHEMBL30797316 0.88 MMP13 (0.44) PLD2PLD1MMP13DDB1CRBN
SCHEMBL17888225 0.86 MMP13 (0.41) PLD2PLD1MMP13DDB1CRBN
SCHEMBL19093367 0.83 LMNA (0.45) MMP13KMT2AHSD17B10ALOX12ALDH1A1
SCHEMBL17886553 0.82 OPRM1 (0.46) PLD2PLD1MMP13DDB1CRBN
SCHEMBL19095308 0.75 ALDH1A1 (0.39) PLD2PLD1MMP13DDB1CRBN
SCHEMBL19095310 0.75 ALDH1A1 (0.39) PLD2PLD1MMP13DDB1CRBN
SCHEMBL5095029 0.75 GPR119 (0.50) MEN1KMT2AHSD17B10ALOX15ALDH1A1
SCHEMBL6224475 0.70 MMP13 (0.40) MMP13DDB1CRBNALOX5G6PD
SCHEMBL7845062 0.70 OPRK1 (0.47) PLD2PLD1MEN1KMT2AALDH1A1
SCHEMBL22605436 0.69 HSD17B10 (0.68) HSD17B10ALDH1A1OPRM1OPRD1OPRK1

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-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 EP disclosed