SCHEMBL21972972

SCHEMBL21972972

CC1(C)C=CC=C(c2nc(-c3ccccc3)cc(-c3ccccc3)n2)C=C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.40
KMT2A Q03164 12/20 0.40
MAPT P10636 9/20 0.40
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 1/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 8/20 0.40
HPGD P15428 7/20 0.40
ADORA1 P30542 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ADORA2A P29274 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NTSR1 P30989 1/20 0.39
KDM4E B2RXH2 5/20 0.37
LMNA P02545 2/20 0.37
AGTR1 P30556 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CYP2C19 P33261 1/20 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
SCHEMBL25923595 0.88 L3MBTL1 (0.43) MEN1KMT2AMAPTTSHRATM
SCHEMBL22212825 0.87 KMT2A (0.40) MEN1KMT2AMAPTTDP1TSHR
SCHEMBL20829148 0.85 CYP19A1 (0.40) MEN1KMT2AMAPTTDP1TSHR
SCHEMBL20829145 0.85 ADORA2A (0.41) MEN1KMT2AMAPTTDP1TSHR
SCHEMBL22296632 0.82 L3MBTL1 (0.54) MEN1KMT2AMAPTATMALDH1A1
SCHEMBL27447170 0.79 L3MBTL1 (0.39) MEN1KMT2AMAPTTDP1ATM
SCHEMBL20829147 0.77 MEN1 (0.45) MEN1KMT2AMAPTTDP1TSHR
SCHEMBL22072005 0.75
SCHEMBL26730292 0.74 L3MBTL1 (0.42) MEN1KMT2AMAPTATMALDH1A1
SCHEMBL20829146 0.74 ADORA2A (0.38) MEN1KMT2AMAPTTDP1TSHR

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
EP-3197982-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-05-06 EP disclosed