SCHEMBL8595236

SCHEMBL8595236

O=C(NN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.64
▸ KMT2A Q03164 8/20 0.64
▸ POLB P06746 6/20 0.64
▸ DNMT1 P26358 1/20 0.64
▸ BLM P54132 1/20 0.64
▸ MAP3K5 Q99683 6/20 0.59
▸ MAPT P10636 5/20 0.58
▸ ALDH1A1 P00352 3/20 0.55
▸ LMNA P02545 3/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ HPGD P15428 2/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ HTT P42858 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ APEX1 P27695 1/20 0.55
▸ RECQL P46063 1/20 0.55
▸ ALPL P05186 1/20 0.55
▸ MAPK1 P28482 1/20 0.55

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
SCHEMBL8595238 1.00 MEN1 (0.64) MEN1KMT2APOLBDNMT1BLM
SCHEMBL3892037 0.79 MAP3K5 (0.79) MEN1KMT2APOLBDNMT1BLM
SCHEMBL3892035 0.79 MAP3K5 (0.79) MEN1KMT2APOLBDNMT1BLM
SCHEMBL3969218 0.78 MEN1 (0.69) MEN1KMT2APOLBBLMMAPT
SCHEMBL3969214 0.78 MEN1 (0.69) MEN1KMT2APOLBBLMMAPT
SCHEMBL13056331 0.78 MAP3K5 (0.78) MAP3K5MAPTAPEX1STAT3
SCHEMBL8594085 0.78 MAP3K5 (0.78) MAP3K5MAPTAPEX1STAT3
SCHEMBL8594082 0.78 MAP3K5 (0.78) MAP3K5MAPTAPEX1STAT3
SCHEMBL6790996 0.77 PTPN12 (0.76) MEN1KMT2APOLBDNMT1BLM
SCHEMBL13220182 0.77 MAPT (0.67) MEN1KMT2APOLBDNMT1BLM

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-1998053790-A2 COMPOUNDS THAT INHIBIT THE BINDING OF VASCULAR ENDOTHELIAL GROWTH FACTOR TO ITS RECEPTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-12-03 — — WO claimed
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