SCHEMBL21899417

SCHEMBL21899417

C=C(NC1=C(C)CCCC1)C(C)CC

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL25630384 0.68
SCHEMBL22383715 0.67 HSD17B10 (0.30)
SCHEMBL21604059 0.66 GAA (0.38) MEN1KMT2A
SCHEMBL13868576 0.64 CA12 (0.34) MEN1TSHRKMT2A
SCHEMBL17319432 0.64
SCHEMBL10041976 0.63 MEN1 (0.39) MEN1KMT2A
SCHEMBL20049944 0.62
SCHEMBL18938460 0.61
SCHEMBL20725738 0.60
SCHEMBL19435716 0.59 KDM4E (0.39) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020081636-A1 INDOLE AHR INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2020-04-23 WO disclosed