SCHEMBL4748577

SCHEMBL4748577

C#Cc1ccc(NC(=O)Nc2ccc(C#C)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.56
MAPT P10636 4/20 0.53
LMNA P02545 2/20 0.53
TSHR P16473 2/20 0.53
HTT P42858 1/20 0.53
NLRP3 Q96P20 1/20 0.53
RAB9A P51151 4/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
KDM4E B2RXH2 2/20 0.52
SAE1 Q9UBE0 1/20 0.52
UBA2 Q9UBT2 1/20 0.52
POLB P06746 1/20 0.52
PKM P14618 1/20 0.52
MAPK1 P28482 1/20 0.52
IL18 Q14116 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
EPHX2 P34913 2/20 0.50
TP53 P04637 1/20 0.50
EPHX1 P07099 1/20 0.50

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
SCHEMBL17424508 0.92 CYP2C9 (0.67) CYP2C9MAPTTSHRRAB9AMEN1
SCHEMBL1542345 0.88 ALDH1A1 (0.58) CYP2C9MAPTLMNATSHRHTT
SCHEMBL8319331 0.84 CYP2C9 (0.50) CYP2C9MAPTLMNATSHRHTT
SCHEMBL13132664 0.84 CYP2C9 (0.48) CYP2C9LMNARAB9AMEN1KMT2A
SCHEMBL13132517 0.84 CYP2C9 (0.48) CYP2C9LMNARAB9AMEN1KMT2A
SCHEMBL17316271 0.84 CYP2C9 (0.58) CYP2C9MAPTMEN1KMT2ACA12
SCHEMBL12846187 0.83 CA12 (0.55) CYP2C9LMNARAB9AMEN1KMT2A
SCHEMBL13168736 0.83 CYP2C9 (0.43) CYP2C9MAPTLMNATSHRHTT
SCHEMBL474661 0.83 KMT2A (0.70) MAPTLMNATSHRHTTRAB9A
SCHEMBL4552493 0.83 PEPD (0.57) CYP2C9MAPTLMNARAB9AMEN1

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
WO-2008122667-A2 UREYLENE DERIVATIVES SCHOOL OF PHARMACY (GB) 2008-10-16 WO disclosed