SCHEMBL21740228

SCHEMBL21740228

Cc1cccc2c1NC(C(=O)N1CCCC(N)C1)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.37
PIM3 Q86V86 2/20 0.37
PIM2 Q9P1W9 2/20 0.37
KDM1A O60341 3/20 0.36
USP30 Q70CQ3 1/20 0.36
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GFER P55789 1/20 0.35
CAMK1D Q8IU85 1/20 0.35
EPHX2 P34913 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
TOP2A P11388 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL21739728 0.85 HRH4 (0.43) KMT2AGFEREPHX2ALDH1A1
SCHEMBL21739718 0.84 JAK1 (0.35) KDM1ATSHRMEN1MAPTKMT2A
SCHEMBL21739719 0.81 SMYD3 (0.41) MEN1KMT2AGFERALDH1A1
SCHEMBL22053077 0.81 GFER (0.36) KMT2AGFEREPHX2ALDH1A1PKM
SCHEMBL21740219 0.80 KMT2A (0.38) TSHRMEN1MAPTKMT2ANPSR1
SCHEMBL21740217 0.79 ALDH1A1 (0.53) TSHRMAPTKMT2AGFERALDH1A1
SCHEMBL21739194 0.78 RIPK1 (0.48) MEN1MAPTKMT2AALDH1A1HTT
SCHEMBL21739173 0.75 ALDH1A1 (0.55) MEN1MAPTKMT2AALDH1A1HTT
SCHEMBL21739722 0.75 ALDH1A1 (0.37) TSHRMEN1MAPTKMT2ANPSR1
SCHEMBL22052776 0.75 HRH3 (0.36) KMT2APKM

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
WO-2020112872-A1 METHODS OF TREATING WHSC1-OVEREXPRESSING CANCERS BY INHIBITING SETD2 Epizyme, Inc. (US) 2020-06-04 WO disclosed
WO-2020037079-A1 SUBSTITUTED INDOLES AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2020-02-20 WO disclosed