SCHEMBL19554283

SCHEMBL19554283

COc1cc(NC(=O)c2ccc3cc(Cl)ccc3c2)c(C(=O)O)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.60
NPSR1 Q6W5P4 2/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
PKM P14618 1/20 0.60
NPC1 O15118 1/20 0.58
ALDH1A1 P00352 1/20 0.58
HTT P42858 1/20 0.58
RAB9A P51151 1/20 0.58
KCNH2 Q12809 1/20 0.58
MAPT P10636 3/20 0.56
LMNA P02545 1/20 0.56
AKR1C4 P17516 1/20 0.53
AKR1C3 P42330 1/20 0.53
AKR1C2 P52895 1/20 0.53
AKR1C1 Q04828 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA7 P43166 1/20 0.52

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
SCHEMBL19554221 0.91 KMT2A (0.64) KDM4ENPSR1MEN1KMT2APKM
SCHEMBL19554243 0.90 KMT2A (0.57) KDM4ENPSR1MEN1KMT2APKM
SCHEMBL19554111 0.89 KMT2A (0.58) KDM4ENPSR1MEN1KMT2APKM
SCHEMBL19554093 0.89 SMN1; SMN2 (0.62) KDM4ENPSR1MEN1KMT2APKM
SCHEMBL19554263 0.88 MEN1 (0.51) KDM4ENPSR1MEN1KMT2APKM
SCHEMBL19554137 0.87 ALDH1A1 (0.54) KDM4ENPSR1MEN1KMT2APKM
SCHEMBL19554300 0.86 MAPT (0.56) KDM4ENPSR1MEN1KMT2APKM
SCHEMBL19554288 0.86 KMT2A (0.55) KDM4ENPSR1MEN1KMT2APKM
SCHEMBL19554329 0.86 MAPT (0.59) KDM4ENPSR1MEN1KMT2APKM
SCHEMBL19554266 0.86 KMT2A (0.55) KDM4ENPSR1MEN1KMT2APKM

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