SCHEMBL22103809

SCHEMBL22103809

COc1ccc(NC(=O)Nc2cccc(C)c2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.77
TSHR P16473 2/20 0.77
NPC1 O15118 8/20 0.71
RAB9A P51151 8/20 0.71
SMN1; SMN2 Q16637 8/20 0.71
NFKB1 P19838 1/20 0.71
NFKB2 Q00653 1/20 0.71
RELA Q04206 1/20 0.71
MAPT P10636 9/20 0.67
KMT2A Q03164 5/20 0.67
MEN1 O00255 4/20 0.67
LMNA P02545 2/20 0.67
SAE1 Q9UBE0 1/20 0.66
UBA2 Q9UBT2 1/20 0.66
MAPK1 P28482 2/20 0.63
CASP3 P42574 1/20 0.63
SENP7 Q9BQF6 1/20 0.63
SENP6 Q9GZR1 1/20 0.63
GAA P10253 1/20 0.63
PKM P14618 1/20 0.63

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
SCHEMBL22103808 0.89 TP53 (0.74) TP53TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL5852140 0.85 SAE1 (0.76) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL10192075 0.85 KMT2A (0.71) TP53TSHRSMN1; SMN2MAPTKMT2A
SCHEMBL4416620 0.85 SMN1; SMN2 (0.77) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL29703055 0.85 SMN1; SMN2 (0.77) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL5852120 0.84 TP53 (0.82) TP53TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL11011683 0.84 TP53 (0.77) TP53TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL4121731 0.84 MAPT (0.72) TP53NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4112132 0.84 KMT2A (0.62) TP53TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL259602 0.83 SMN1; SMN2 (0.75) TP53TSHRNPC1RAB9ASMN1; SMN2

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