SCHEMBL22103804

SCHEMBL22103804

CC(C)(C)c1ccc(NC(=O)Nc2ccc(C#N)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.63
LMNA P02545 4/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
HTT P42858 3/20 0.63
MAPK1 P28482 3/20 0.63
RAB9A P51151 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
NPC1 O15118 2/20 0.63
TSHR P16473 1/20 0.63
NLRP3 Q96P20 1/20 0.63
XBP1 P17861 1/20 0.63
EPHX2 P34913 3/20 0.61
SAE1 Q9UBE0 1/20 0.61
UBA2 Q9UBT2 1/20 0.61
KDM4E B2RXH2 1/20 0.61
POLB P06746 1/20 0.61
PKM P14618 1/20 0.61
IL18 Q14116 1/20 0.61
NR1H4 Q96RI1 1/20 0.61

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
SCHEMBL9695815 0.87 MLYCD (0.67) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL3875552 0.87 MLYCD (0.67) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL11054945 0.86 MAPT (0.81) MAPTLMNAMEN1KMT2AHTT
SCHEMBL13756246 0.86 MAPT (0.81) MAPTLMNAMEN1KMT2AHTT
SCHEMBL2730172 0.86 MAPT (0.81) MAPTLMNAMEN1KMT2AHTT
SCHEMBL14586313 0.81 MEN1 (0.62) MAPTLMNAMEN1KMT2AHTT
SCHEMBL5697460 0.81 NPC1 (0.61) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL11054936 0.81 MAPT (0.69) MAPTLMNAMEN1KMT2AHTT
SCHEMBL15221633 0.80 KIF11 (0.68) EPHX2ALDH1A1KIF11PANK3
SCHEMBL69655 0.80 KIF11 (0.86) MAPTLMNARAB9ASMN1; SMN2NPC1

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-2020123675-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER DUKE UNIVERSITY (US) 2020-06-18 WO disclosed