SCHEMBL21597614

SCHEMBL21597614

Nc1nncn1-c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
GFER P55789 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NOTUM Q6P988 1/20 0.37
HCAR1 Q9BXC0 1/20 0.37
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
ATM Q13315 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL544340 0.79 MAPK1 (0.41) MEN1KMT2AMAPTMAPK1HTT
SCHEMBL22290242 0.76 LOXL2 (0.38) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL27289907 0.76 MAPKAPK2 (0.42) LMNANOTUMKDM4ECYP11B2
SCHEMBL4825732 0.73 ALDH1A1 (0.41) ALDH1A1LMNANOTUMHCAR1KDM4E
SCHEMBL21082452 0.71 LGALS3 (0.35) MAPTALDH1A1NOTUMHCAR1PTGS1
SCHEMBL22290199 0.66 POLB (0.36) KMT2AMAPTALDH1A1LMNAMAPK1
SCHEMBL25215742 0.66 MAPK9 (0.52) MEN1KMT2A
SCHEMBL4052644 0.66 NPC1 (0.58) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL16845861 0.65 KCNH2 (0.44) MEN1KMT2A
SCHEMBL8233628 0.64 TLR8 (0.50) NPC1RAB9AMEN1KMT2AMAPT

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 6 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 claimed
CN-112566910-A Thiophene derivatives for the treatment of IgE induced diseases UCB生物制药有限责任公司 2021-03-26 CN claimed
WO-2019243550-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2019-12-26 WO claimed
EP-3810606-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2021-04-28 EP disclosed
CN-112566910-A Thiophene derivatives for the treatment of IgE induced diseases UCB生物制药有限责任公司 2021-03-26 CN disclosed
WO-2019243550-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2019-12-26 WO disclosed