SCHEMBL9202930

SCHEMBL9202930

COc1ccc2c(O)c(C(=O)Nc3ccc(Br)cn3)c(=O)oc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 11/20 0.48
▸ RAB9A P51151 11/20 0.48
▸ NQO1 P15559 2/20 0.48
▸ TSHR P16473 1/20 0.45
▸ KDM4E B2RXH2 4/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ RECQL P46063 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ MITF O75030 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ POLB P06746 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ DEGS1 O15121 1/20 0.42
▸ MAPT P10636 4/20 0.42
▸ GAA P10253 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL9201020 0.87 ALDH1A1 (0.47) NPC1RAB9ATSHRKDM4EMEN1
SCHEMBL9205567 0.85 NPC1 (0.48) NPC1RAB9ATSHRKDM4EMEN1
SCHEMBL9201784 0.85 NPC1 (0.47) NPC1RAB9ANQO1KDM4EMEN1
SCHEMBL9200114 0.82 NPC1 (0.44) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL9207064 0.82 NPC1 (0.53) NPC1RAB9ATSHRKDM4EMEN1
SCHEMBL7615742 0.76 NPC1 (0.52) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL9202276 0.76 ALDH1A1 (0.54) NPC1RAB9ATSHRKDM4EMEN1
SCHEMBL28497661 0.74 NQO1 (0.65) NPC1RAB9ANQO1KDM4EMEN1
SCHEMBL9201286 0.72 NPC1 (0.57) NPC1RAB9ANQO1TSHRKDM4E
SCHEMBL9204186 0.71 NPC1 (0.64) NPC1RAB9ATSHRKDM4EMEN1

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 6 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
EP-0550493-B1 ANTHELMINTIC AND ANTICOCCIDAL 3-CARBAMOYL-4-HYDROXYCOUMARINS, METHOD OF USE AND COMPOSITIONS UPJOHN CO (US) 1995-08-09 — — EP disclosed
EP-0550493-A1 ANTHELMINTIC AND ANTICOCCIDAL 3-CARBAMOYL-4-HYDROXYCOUMARINS, METHOD OF USE AND COMPOSITIONS. UPJOHN CO (US) 1993-07-14 — — EP disclosed
WO-1992006083-A1 ANTHELMINTIC AND ANTICOCCIDAL 3-CARBAMOYL-4-HYDROXYCOUMARINS, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1992-04-16 — — WO disclosed
Send feedback