SCHEMBL21067621

SCHEMBL21067621

Cc1ccc2c(c1)N=C1N(c3ccccc3)CC[C@@]1(O)C2=O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.83
KMT2A Q03164 4/20 0.83
MAPT P10636 3/20 0.83
KDM4E B2RXH2 3/20 0.83
CYP3A4 P08684 2/20 0.83
CYP1A2 P05177 1/20 0.83
CYP2D6 P10635 1/20 0.83
CYP2C9 P11712 1/20 0.83
CYP2C19 P33261 1/20 0.83
ALOX15 P16050 1/20 0.83
CASP1 P29466 1/20 0.83
MYH9 P35579 1/20 0.83
MYH10 P35580 1/20 0.83
CASP7 P55210 1/20 0.83
HBB P68871 1/20 0.83
MYH2 Q9UKX2 1/20 0.71
METAP2 P50579 8/20 0.42
HSD11B1 P28845 1/20 0.37
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35

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
SCHEMBL30075966 0.91 MEN1 (1.00) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL4330341 0.91 MEN1 (1.00) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL29354793 0.91 MEN1 (1.00) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL15919292 0.91 MEN1 (1.00) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL4330339 0.91 MEN1 (1.00) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL29438548 0.91 MEN1 (1.00) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL25857142 0.90 MEN1 (0.67) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL23917036 0.87 MEN1 (0.77) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL25857172 0.87 MEN1 (0.77) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL21067295 0.85 KMT2A (0.74) MEN1KMT2AMAPTKDM4ECYP3A4

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
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed