SCHEMBL21739728

SCHEMBL21739728

CNC1CCCN(C(=O)C2Cc3cccc(C)c3N2)C1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.43
GFER P55789 3/20 0.41
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.37
KMT2A Q03164 3/20 0.36
HCRTR1 O43613 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL21740228 0.85 PIM1 (0.37) GFERALDH1A1KMT2AEPHX2
SCHEMBL21739719 0.85 SMYD3 (0.41) GFERALDH1A1RAB9AKMT2A
SCHEMBL22053077 0.84 GFER (0.36) GFERALDH1A1RAB9AKMT2AHCRTR1
SCHEMBL21739718 0.83 JAK1 (0.35) GFERALDH1A1KMT2AEPHX2
SCHEMBL21739194 0.77 RIPK1 (0.48) ALDH1A1RAB9AKMT2A
SCHEMBL21740219 0.76 KMT2A (0.38) ALDH1A1KMT2A
SCHEMBL21740217 0.76 ALDH1A1 (0.53) GFERALDH1A1KMT2A
SCHEMBL21739173 0.74 ALDH1A1 (0.55) ALDH1A1RAB9AKMT2A
SCHEMBL21739921 0.74 EPHX1 (0.49) RAB9AKMT2AEPHX2
SCHEMBL21739537 0.74 KMT2A (0.31) ALDH1A1KMT2A

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