SCHEMBL19554374

SCHEMBL19554374

COc1cc(NC(=O)c2ccc3cc(Cl)ccc3c2)c(-n2nn[nH]c2=O)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
MAOB P27338 3/20 0.43
MAOA P21397 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL19554232 0.92 MAPT (0.45) KDM4ENPSR1MEN1LMNAMAPT
SCHEMBL19554361 0.91 HDAC1 (0.41) KDM4ENPSR1MEN1LMNAMAPT
SCHEMBL19554377 0.91 SMN1; SMN2 (0.51) KDM4ENPSR1MEN1LMNAMAPT
SCHEMBL19555285 0.90 NPC1 (0.45) KDM4ENPSR1MEN1LMNAMAPT
SCHEMBL19554142 0.89 MAPT (0.49) KDM4ENPSR1MEN1LMNAMAPT
SCHEMBL19554220 0.88 KDM4E (0.42) KDM4ENPSR1MEN1LMNAMAPT
SCHEMBL19554279 0.86 JAK2 (0.42) MEN1MAPTKMT2ASMN1; SMN2NPC1
SCHEMBL19554871 0.82 F10 (0.48) MEN1KMT2ASMN1; SMN2NPC1CYP1A2
SCHEMBL19554101 0.81 CYP1A2 (0.45) KDM4EMEN1LMNAMAPTKMT2A
SCHEMBL19554191 0.81 GAA (0.47) KDM4ENPSR1MEN1MAPTKMT2A

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