SCHEMBL9699385

SCHEMBL9699385

CC(=O)CC(=O)c1cccc2ncccc12

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 4/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PABPC1 P11940 4/20 0.47
EIF4H Q15056 4/20 0.47
P2RX7 Q99572 2/20 0.46
NR4A1 P22736 1/20 0.46
ESR2 Q92731 1/20 0.46
ACLY P53396 1/20 0.45
RECQL P46063 1/20 0.43
CLK1 P49759 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL9701619 0.89 NSD2 (0.47) NSD2MEN1KMT2AALDH1A1LMNA
SCHEMBL16887637 0.84 NSD2 (0.55) NSD2MEN1KMT2AALDH1A1LMNA
SCHEMBL11154784 0.83 NSD2 (0.54) NSD2MEN1KMT2AALDH1A1LMNA
SCHEMBL827107 0.82 MEN1 (0.58) NSD2MEN1KMT2AALDH1A1LMNA
SCHEMBL12396143 0.81 NSD2 (0.67) NSD2MEN1KMT2AALDH1A1LMNA
SCHEMBL11808999 0.80 P2RX7 (0.62) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL9361672 0.79 NSD2 (0.50) NSD2MEN1KMT2AALDH1A1LMNA
Acetic Acid SCHEMBL27656229 0.79 NSD2 (0.56) NSD2MEN1KMT2AALDH1A1LMNA
SCHEMBL12396144 0.79 NSD2 (0.53) NSD2MEN1KMT2AALDH1A1LMNA
Urea SCHEMBL27713673 0.78 NSD2 (0.52) NSD2MEN1KMT2AALDH1A1LMNA

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