SCHEMBL21597554

SCHEMBL21597554

CCN/C(=N/C#N)Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.36
IDO1 P14902 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
GAA P10253 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MGLL Q99685 1/20 0.33
MAPT P10636 2/20 0.33
RECQL P46063 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL21597555 1.00 KMT2A (0.41) KMT2APOLBIDO1SMN1; SMN2NPC1
SCHEMBL13066415 1.00 KMT2A (0.41) KMT2APOLBIDO1SMN1; SMN2NPC1
SCHEMBL13617146 0.88 MAPT (0.40) KMT2APOLBIDO1ZDHHC2GAA
SCHEMBL3421932 0.84 ZDHHC2 (0.50) ZDHHC2ALDH1A1MGLL
SCHEMBL14996220 0.84 ZDHHC2 (0.50) ZDHHC2ALDH1A1MGLL
SCHEMBL13630803 0.83 ZDHHC2 (0.52) ZDHHC2ALDH1A1MGLL
SCHEMBL556016 0.83 MCL1 (0.44) KMT2APOLBSMN1; SMN2NPC1RAB9A
SCHEMBL13939605 0.83 MCL1 (0.44) KMT2APOLBSMN1; SMN2NPC1RAB9A
SCHEMBL3968975 0.83 MCL1 (0.44) KMT2APOLBSMN1; SMN2NPC1RAB9A
SCHEMBL10665995 0.81 KMT2A (0.44) KMT2APOLBIDO1SMN1; SMN2GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3810606-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2021-04-28 EP disclosed
WO-2019243550-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2019-12-26 WO disclosed