SCHEMBL19353262

SCHEMBL19353262

NC(=O)c1c(NC(=O)OCC(Cl)(Cl)Cl)sc2c(Br)c(O)ccc12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.38
MAPT P10636 5/20 0.38
MEN1 O00255 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.35
ALOX12 P18054 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 1/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.31
MITF O75030 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL19352846 0.84 KMT2A (0.38) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL19352847 0.79 KMT2A (0.37) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL19352848 0.79 KMT2A (0.38) KMT2AMAPTLMNACYP1A2TSHR
SCHEMBL19329798 0.77 KMT2A (0.36) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL19330067 0.77 KMT2A (0.37) KMT2AMAPTLMNAL3MBTL1CYP1A2
SCHEMBL5448926 0.73 FLT3 (0.47) KMT2AMAPTMEN1SMN1; SMN2NPC1
SCHEMBL5466938 0.72 CA12 (0.44) KMT2AMAPTMEN1LMNAGAA
SCHEMBL19329986 0.71 KMT2A (0.36) KMT2AMAPTLMNACYP1A2POLB
SCHEMBL5451260 0.70 EPHX2 (0.51) KMT2AMAPTMEN1GAAALDH1A1
SCHEMBL5453506 0.68 MAPT (0.45) KMT2AMAPTMEN1SMN1; SMN2LMNA

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-2017153789-A1 BENZO[B]THIOPHENE DERIVATIVES AND THEIR USE FOR THE INHIBITION OF FIBROBLAST GROWTH FACTOR RECEPTOR KINASES (FGFRS) FOR THE USE OF NEO- AND HYPERPLASIA THERAPIES VICHEM CHEMIE KUTATÓ KFT. (HU) 2017-09-14 WO disclosed