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SCHEMBL4727796

SCHEMBL4727796

COC(=O)c1cccc(NC(=S)NC2CCN(c3nncc4cc(Br)ccc34)CC2)c1.FC(F)(F)Oc1ccccc1NC(=S)NC1CCN(c2nncc3cc(Br)ccc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.38
▸ NR1H4 Q96RI1 1/20 0.38
▸ BPTF Q12830 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CFD P00746 1/20 0.36

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
SCHEMBL4583648 0.90 MAPK14 (0.46) MAPK14BPTFALDH1A1MAPTNPC1
SCHEMBL4583182 0.89 KMT2A (0.39) MAPK14ALDH1A1MAPTKMT2A
SCHEMBL4582143 0.84 NPC1 (0.45) MAPK14BPTFALDH1A1MAPTNPC1
SCHEMBL4582271 0.83 KMT2A (0.39) ALDH1A1MAPTKMT2A
SCHEMBL4725020 0.82 MAPT (0.44) MAPK14ALDH1A1MAPTNPC1RAB9A
SCHEMBL4583028 0.82 MEN1 (0.51) MAPK14ALDH1A1MAPTKMT2A
SCHEMBL4582547 0.80 MAPT (0.44) ALDH1A1MAPTRAB9AKMT2A
SCHEMBL4726353 0.80 NPC1 (0.40) MAPK14BPTFALDH1A1MAPTNPC1
SCHEMBL4728090 0.79 KMT2A (0.40) MAPK14ALDH1A1MAPTRAB9AKMT2A
SCHEMBL4727879 0.79 MEN1 (0.42) MAPK14ALDH1A1MAPTKMT2A

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-2008028690-A1 1-(HET)ARYL-3-[HETARYL-PIPERIDIN-4-YL]-THIOUREAS AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 — — WO disclosed