SCHEMBL9201020

SCHEMBL9201020

Cc1ccc2c(O)c(C(=O)Nc3ccc(Br)cn3)c(=O)oc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ NPC1 O15118 11/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ SORT1 Q99523 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ RAB9A P51151 9/20 0.45
▸ HPGD P15428 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ RXFP1 Q9HBX9 2/20 0.44
▸ TSHR P16473 1/20 0.44

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
SCHEMBL9205567 0.87 NPC1 (0.48) ALDH1A1NPSR1NPC1KMT2AMEN1
SCHEMBL9201784 0.87 NPC1 (0.47) ALDH1A1NPC1KMT2AMEN1KDM4E
SCHEMBL9202930 0.87 NPC1 (0.48) ALDH1A1NPC1KMT2AMEN1KDM4E
SCHEMBL9200114 0.85 NPC1 (0.44) ALDH1A1NPC1KMT2AMEN1KDM4E
SCHEMBL9207064 0.84 NPC1 (0.53) ALDH1A1NPC1KMT2AMEN1KDM4E
SCHEMBL9204186 0.80 NPC1 (0.64) ALDH1A1NPSR1NPC1KMT2AMEN1
SCHEMBL7615742 0.78 NPC1 (0.52) ALDH1A1NPC1KMT2AMEN1KDM4E
SCHEMBL9202276 0.78 ALDH1A1 (0.54) ALDH1A1NPSR1NPC1KMT2AMEN1
SCHEMBL9204225 0.73 CA12 (0.51) ALDH1A1NPC1KMT2AMEN1RAB9A
SCHEMBL9202197 0.72 ALDH1A1 (0.47) ALDH1A1NPSR1NPC1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0550493-B1 ANTHELMINTIC AND ANTICOCCIDAL 3-CARBAMOYL-4-HYDROXYCOUMARINS, METHOD OF USE AND COMPOSITIONS UPJOHN CO (US) 1995-08-09 — — EP claimed
EP-0550493-A1 ANTHELMINTIC AND ANTICOCCIDAL 3-CARBAMOYL-4-HYDROXYCOUMARINS, METHOD OF USE AND COMPOSITIONS. UPJOHN CO (US) 1993-07-14 — — EP claimed
WO-1992006083-A1 ANTHELMINTIC AND ANTICOCCIDAL 3-CARBAMOYL-4-HYDROXYCOUMARINS, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1992-04-16 — — WO claimed
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