SCHEMBL9201784

SCHEMBL9201784

O=C(Nc1ccc(Br)cn1)c1c(O)c2ccc(F)cc2oc1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 11/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ RECQL P46063 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ RAB9A P51151 10/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ HTT P42858 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ RXFP1 Q9HBX9 2/20 0.44
▸ NQO1 P15559 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CA12 O43570 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ TP53 P04637 1/20 0.40

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) NPC1MEN1KMT2AKDM4ERECQL
SCHEMBL9201020 0.87 ALDH1A1 (0.47) NPC1MEN1KMT2AKDM4ERECQL
SCHEMBL9200114 0.87 NPC1 (0.44) NPC1MEN1KMT2AKDM4ERECQL
SCHEMBL9202930 0.85 NPC1 (0.48) NPC1MEN1KMT2AKDM4ERECQL
SCHEMBL9207064 0.84 NPC1 (0.53) NPC1MEN1KMT2AKDM4ERECQL
SCHEMBL9207067 0.83 NQO1 (0.49) NPC1MEN1KMT2ATDP1RAB9A
SCHEMBL9201369 0.79 CA12 (0.47) NPC1MEN1KMT2ATDP1RAB9A
SCHEMBL7615742 0.78 NPC1 (0.52) NPC1MEN1KMT2AKDM4ERECQL
SCHEMBL9201128 0.78 NPC1 (0.49) NPC1RAB9APOLBRXFP1NQO1
SCHEMBL9202075 0.78 NQO1 (0.53) NPC1MEN1KMT2ATDP1RAB9A

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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