SCHEMBL8689095

SCHEMBL8689095

O=C(O)Cc1ccc(NC(=O)CBr)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
NR1H4 Q96RI1 3/20 0.56
GAA P10253 1/20 0.53
POLB P06746 2/20 0.53
KDM4E B2RXH2 2/20 0.53
EPHX2 P34913 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
HSD17B10 Q99714 1/20 0.51
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
FFAR1 O14842 1/20 0.50
RORC P51449 1/20 0.49

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
SCHEMBL15267699 0.84 KMT2A (0.60) MEN1KMT2AGAAPOLBKDM4E
SCHEMBL10864497 0.83 MEN1 (0.59) MEN1KMT2ANR1H4GAAPOLB
SCHEMBL9250647 0.81 ALDH1A1 (0.61) MEN1KMT2ANR1H4GAAPOLB
SCHEMBL7231673 0.81 GAA (0.61) MEN1KMT2ANR1H4GAAPOLB
SCHEMBL14271185 0.81 NR1H4 (0.60) MEN1KMT2ANR1H4GAAPOLB
SCHEMBL13290702 0.81 EPHX2 (0.79) MEN1KMT2ANR1H4GAAKDM4E
SCHEMBL11355706 0.81 MEN1 (0.57) MEN1KMT2ANR1H4GAAPOLB
SCHEMBL8667875 0.81 KMT2A (0.48) MEN1KMT2AGAAPOLBEPHX2
SCHEMBL4787002 0.81 KMT2A (0.51) MEN1KMT2AGAAPOLBEPHX2
SCHEMBL19889056 0.81 SMN1; SMN2 (0.58) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109952297-B Compound (I) 奥斯陆大学 2022-02-25 CN disclosed
US-5741926-A ANTIDIABETIC AGENT SHAMAN PHARMACEUTICALS, INC. (US) 1998-04-21 US disclosed
WO-1997030019-A1 ANILINE DERIVATIVES HAVING ANTIHYPERGLYCEMIC ACTIVITY SHAMAN PHARMACEUTICALS, INC. (US) 1997-08-21 WO disclosed