SCHEMBL8211706

SCHEMBL8211706

CCCC(CBr)c1ccccc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
DHFR P00374 2/20 0.44
EGFR P00533 2/20 0.44
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.39
MC4R P32245 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL19003505 0.85 POLB (0.47) POLBHTTNPSR1L3MBTL1DHFR
SCHEMBL4480822 0.79 POLB (0.45) POLBHTTNPSR1L3MBTL1DHFR
SCHEMBL5609827 0.78 CA1 (0.44) POLBHTTNPSR1L3MBTL1CA1
SCHEMBL11318172 0.77 DHFR (0.39) POLBHTTNPSR1L3MBTL1DHFR
SCHEMBL12157085 0.77 HTT (0.53) POLBHTTNPSR1L3MBTL1CA1
SCHEMBL6685350 0.76 NISCH (0.40) HTTNPSR1L3MBTL1MEN1KMT2A
SCHEMBL23095064 0.76 CA1 (0.46) POLBHTTNPSR1L3MBTL1CA1
SCHEMBL18893195 0.76 CA1 (0.46) POLBHTTNPSR1L3MBTL1CA1
SCHEMBL5609009 0.74 CA1 (0.44) POLBHTTNPSR1L3MBTL1DHFR
SCHEMBL1535133 0.74 CA1 (0.44) POLBHTTNPSR1L3MBTL1DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016132134-A1 THIAZOLE DERIVATIVES FOR THE TREATMENT OF ANIMAL TRYPANOSOMIASIS UNIVERSITY OF DUNDEE (GB) 2016-08-25 WO disclosed
US-6071935-A Derivatives of 2-(2-oxo-ethylidene)-imidazolidin-4-one and their use as farnesyl protein transferase inhibitors PFIZER INC. (US) 2000-06-06 US disclosed
EP-0907649-A1 DERIVATIVES OF 2-(2-OXO-ETHYLIDENE)-IMIDAZOLIDIN-4-ONE AND THEIR USE AS FARNESYL PROTEIN TRANSFERASE INHIBITORS PFIZER INC. (US) 1999-04-14 EP disclosed
WO-1997049700-A1 DERIVATIVES OF 2-(2-OXO-ETHYLIDENE)-IMIDAZOLIDIN-4-ONE AND THEIR USE AS FARNESYL PROTEIN TRANSFERASE INHIBITORS PFIZER INC. (US) 1997-12-31 WO disclosed