SCHEMBL29520342

SCHEMBL29520342

CC(C)=C1C(c2cccs2)=NC(C(C)(C)C)=Nc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
SMN1; SMN2 Q16637 6/20 0.36
LMNA P02545 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 4/20 0.34
RAB9A P51151 4/20 0.34
LTA4H P09960 1/20 0.33
NPC1 O15118 3/20 0.33
MAPK1 P28482 2/20 0.33
HPGD P15428 1/20 0.33
BAZ2B Q9UIF8 1/20 0.32
BAZ2A Q9UIF9 1/20 0.32
PDK2 Q15119 1/20 0.32
TP53 P04637 1/20 0.32
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL29520490 0.82 KDM4E (0.31) MAPTKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL29520737 0.81 IDO1 (0.40) MAPTKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL29520721 0.80 MEN1 (0.33) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL29520739 0.78 CNR1 (0.34) KDM4EALDH1A1RAB9ANPC1HPGD
SCHEMBL29520292 0.76 CNR1 (0.35) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL29520584 0.76 MAPT (0.38) MAPTKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL29520620 0.76 CNR1 (0.38) MAPTKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL29520639 0.74 MAPT (0.38) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL29409248 0.70 NPC1 (0.36) MAPTKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL29520723 0.69 IDO1 (0.39) MAPTKMT2AMEN1L3MBTL1LMNA

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
CN-112174901-B Synthesis method and anticancer activity of 1, 3-benzodiazepine compound 河南师范大学 2022-02-08 CN disclosed