SCHEMBL17596458

SCHEMBL17596458

CC1(C)CC(Nc2ccccc2C(N)=O)CC(C)(C)N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
RAD52 P43351 1/20 0.48
GFER P55789 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 1/20 0.47
EZH2 Q15910 3/20 0.46
HTT P42858 1/20 0.45
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
METAP2 P50579 1/20 0.43
TSHR P16473 1/20 0.43
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL15008597 0.82 EZH2 (0.52) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL7392417 0.75 TP53 (0.66) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL377833 0.75 SIRT2 (0.56) KDM4ETP53
SCHEMBL8504043 0.74 KMT2A (0.76) KMT2AMEN1L3MBTL1POLBEZH2
Hydrochloric Acid SCHEMBL7385416 0.74 TP53 (0.64) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL4535105 0.73 HSP90AA1 (0.55) TP53
SCHEMBL4611752 0.73 KMT2A (0.45) KMT2AMEN1ALOX15L3MBTL1POLB
SCHEMBL29470849 0.73 HSP90AA1 (0.55) TP53
SCHEMBL22605677 0.72 JAK2 (0.50) ALDH1A1KDM4ETP53
SCHEMBL27538853 0.72 RPS6KB1 (0.56) TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191473-A1 INDAZOLYL- AND INDOLYL-BENZAMIDE DERIVATIVES Esanex, Inc. (US) 2017-07-19 EP disclosed
WO-2016040809-A1 INDAZOLYL- AND INDOLYL-BENZAMIDE DERIVATIVES ESANEX, INC. (US) 2016-03-17 WO disclosed