SCHEMBL19554135

SCHEMBL19554135

COc1cc(NC(=O)c2ccc3sc(-c4ccccc4)cc3c2)c(C(=O)O)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
MEN1 O00255 2/20 0.54
HTT P42858 2/20 0.54
KCNH2 Q12809 1/20 0.54
LMNA P02545 2/20 0.51
ACLY P53396 1/20 0.51
AKR1C4 P17516 1/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
AKR1C1 Q04828 1/20 0.50
HDAC6 Q9UBN7 2/20 0.49
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA7 P43166 1/20 0.47
CHEK1 O14757 1/20 0.47

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
SCHEMBL19554235 0.86 KMT2A (0.53) KMT2AALDH1A1NPC1RAB9AMEN1
SCHEMBL19554221 0.82 KMT2A (0.64) KMT2AALDH1A1NPC1RAB9AMEN1
SCHEMBL19554283 0.78 KDM4E (0.60) KMT2AALDH1A1NPC1RAB9AMEN1
SCHEMBL19554166 0.78 KMT2A (0.53) KMT2AALDH1A1NPC1RAB9AMEN1
SCHEMBL19554243 0.77 KMT2A (0.57) KMT2AALDH1A1NPC1RAB9AMEN1
SCHEMBL19554093 0.77 SMN1; SMN2 (0.62) KMT2AALDH1A1NPC1RAB9AMEN1
SCHEMBL19554137 0.75 ALDH1A1 (0.54) KMT2AALDH1A1NPC1RAB9AMEN1
SCHEMBL19554288 0.74 KMT2A (0.55) KMT2AALDH1A1NPC1RAB9AMEN1
SCHEMBL19554300 0.74 MAPT (0.56) KMT2AALDH1A1NPC1RAB9AMEN1
SCHEMBL19554329 0.74 MAPT (0.59) KMT2AALDH1A1NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO claimed
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed