SCHEMBL21346098

SCHEMBL21346098

COc1cccc(F)c1CNI

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.52
▸ MAOA P21397 1/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPK1 P28482 4/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ NFE2L2 Q16236 1/20 0.40
▸ NPC1 O15118 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ EED O75530 1/20 0.38
▸ SUZ12 Q15022 1/20 0.38
▸ EZH2 Q15910 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
SCHEMBL13408002 0.84 KDM1A (0.54) KDM1AMAOAL3MBTL1KMT2AMEN1
SCHEMBL20084008 0.80 GAA (0.41) L3MBTL1KMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL28072832 0.79 L3MBTL1 (0.46) KDM1AMAOAL3MBTL1KMT2AMEN1
SCHEMBL21601057 0.79 KDM1A (0.50) KDM1AMAOAL3MBTL1KMT2AMEN1
SCHEMBL18901136 0.79 ROCK2 (0.41) KDM1AMAOAL3MBTL1KMT2AMEN1
SCHEMBL8418210 0.77 L3MBTL1 (0.47) KDM1AMAOAL3MBTL1KMT2AMEN1
SCHEMBL4657734 0.76 KDM1A (0.47) KDM1AMAOAL3MBTL1KMT2AMEN1
SCHEMBL24685480 0.76 L3MBTL1 (0.46) KDM1AMAOAL3MBTL1KMT2AMEN1
SCHEMBL696401 0.76 L3MBTL1 (0.46) KDM1AMAOAL3MBTL1KMT2AMEN1
SCHEMBL178447 0.76 L3MBTL1 (0.46) KDM1AMAOAL3MBTL1KMT2AMEN1

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-2019170086-A1 ACYL-SUBSTITUTED OXAZINO-QUINAZOLINE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF 北京赛特明强医药科技有限公司 2019-09-12 — — WO disclosed
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