SCHEMBL15324324

SCHEMBL15324324

COC(=O)C=C1SC(=NC(=O)c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.48
▸ LMNA P02545 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ RECQL P46063 2/20 0.38
▸ S1PR1 P21453 5/20 0.38
▸ S1PR3 Q99500 4/20 0.38
▸ MAPT P10636 4/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ PLA2G1B P04054 1/20 0.37
▸ ATG4B Q9Y4P1 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ MGAM O43451 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SI P14410 1/20 0.36
▸ MGAM2 Q2M2H8 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
SCHEMBL29420531 1.00 KDM4E (0.48) KDM4ELMNAHTTKMT2AALDH1A1
SCHEMBL30538681 1.00 KDM4E (0.48) KDM4ELMNAHTTKMT2AALDH1A1
SCHEMBL13950213 1.00 KDM4E (0.48) KDM4ELMNAHTTKMT2AALDH1A1
SCHEMBL12297882 0.80 FAAH (0.54) LMNAHTTKMT2AALDH1A1RAB9A
SCHEMBL5736711 0.61 KDM4E (0.45) KDM4EKMT2AALDH1A1RAB9ARECQL
SCHEMBL5736714 0.61 KDM4E (0.45) KDM4EKMT2AALDH1A1RAB9ARECQL
SCHEMBL608814 0.59 ABL1 (0.68) KDM4EKMT2AALDH1A1RAB9ARECQL
SCHEMBL5737133 0.59 KDM4E (0.43) KDM4EHTTKMT2AALDH1A1RAB9A
SCHEMBL5737136 0.59 KDM4E (0.43) KDM4EHTTKMT2AALDH1A1RAB9A
SCHEMBL10662771 0.58 FAAH (0.54) KMT2AALDH1A1S1PR1S1PR3MAPT

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
US-8563511-B2 Treatment of pulmonary hypertension using an agent that inhibits a tissue factor pathway UNIVERSITY OF ROCHESTER (US) 2013-10-22 — — US disclosed
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