SCHEMBL9701619

SCHEMBL9701619

CC(=O)CC(=O)c1ccnc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
HTR1A P08908 2/20 0.44
ADRA1D P25100 2/20 0.44
ADRA1A P35348 2/20 0.44
ADRA1B P35368 2/20 0.44
PTPN1 P18031 1/20 0.43
PTPN11 Q06124 1/20 0.43

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
SCHEMBL9699385 0.89 NSD2 (0.56) NSD2MEN1KMT2AHDAC6LMNA
SCHEMBL6808375 0.83 NSD2 (0.46) NSD2HDAC3HDAC4HDAC1HDAC7
SCHEMBL827639 0.81 MEN1 (0.47) NSD2MEN1KMT2AHDAC3HDAC4
SCHEMBL1882353 0.80 PTPN1 (0.54) NSD2HDAC3HDAC4HDAC1HDAC7
SCHEMBL27491389 0.80 NSD2 (0.46) NSD2HDAC3HDAC4HDAC1HDAC7
SCHEMBL9365332 0.78 GABRA1 (0.48) NSD2HDAC3HDAC4HDAC1HDAC7
SCHEMBL6553257 0.77 PABPC1 (0.47) NSD2MEN1KMT2AHDAC3HDAC4
SCHEMBL27359351 0.77 HDAC3 (0.44) NSD2MEN1KMT2AHDAC3HDAC4
SCHEMBL23193358 0.77 NCF1 (0.50) NSD2HDAC3HDAC4HDAC1HDAC7
SCHEMBL8573837 0.77 NSD2 (0.56) NSD2HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5112820-A Vision defects STERLING DRUG INC. (US) 1992-05-12 US disclosed
US-5109135-A 2- or 3-aminomethyl-4-amino-3,4-dihydro-2H-1,4-benzoxazine intermediates STERLING DRUG INC. (US) 1992-04-28 US disclosed
US-5066803-A Chemical intermediates for analgesics STERLING DRUG INC. (US) 1991-11-19 US disclosed
WO-1990007505-A1 2- AND 3-AMINOMETHYL-6-ARYLCARBONYL-2,3-DIHYDROPYRROLO[1,2,3-de]-1,4-BENZOXAZINES STERLING DRUG INC. (US) 1990-07-12 WO disclosed
US-4939138-A 2- and 3-aminomethyl-6-arylcarbonyl-2,3-dihydropyrrolo(1,2,3-DE)-1,4-benzoxazines STERLING DRUG INC. (US) 1990-07-03 US disclosed