SCHEMBL9202276

SCHEMBL9202276

O=C(Nc1ccc(Cl)cn1)c1c(O)c2ccc(Cl)cc2oc1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ BRD4 O60885 1/20 0.51
▸ RAB9A P51151 7/20 0.49
▸ SMN1; SMN2 Q16637 5/20 0.49
▸ NPC1 O15118 4/20 0.49
▸ TSHR P16473 3/20 0.49
▸ TP53 P04637 2/20 0.49
▸ NFKB1 P19838 2/20 0.49
▸ NFKB2 Q00653 2/20 0.49
▸ RELA Q04206 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MAPT P10636 3/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ KMT2A Q03164 4/20 0.46
▸ POLB P06746 3/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ SORT1 Q99523 1/20 0.45
▸ PTK2 Q05397 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 0.91 NPC1 (0.48) ALDH1A1CYP2C9CYP2C19BRD4RAB9A
SCHEMBL9202197 0.88 ALDH1A1 (0.47) ALDH1A1CYP2C9CYP2C19BRD4RAB9A
SCHEMBL9207873 0.88 SMN1; SMN2 (0.61) ALDH1A1CYP2C9CYP2C19BRD4RAB9A
SCHEMBL9200984 0.84 MAOB (0.48) ALDH1A1RAB9ANPC1NFKB1NFKB2
SCHEMBL9206802 0.82 KCNQ3 (0.50) —
SCHEMBL9207427 0.80 RAB9A (0.52) ALDH1A1RAB9ASMN1; SMN2NPC1TP53
SCHEMBL7616962 0.79 POLB (0.43) ALDH1A1RAB9ASMN1; SMN2NPC1TP53
SCHEMBL11563366 0.78 TTR (0.54) ALDH1A1CYP2C9KDM4EL3MBTL1
SCHEMBL9201020 0.78 ALDH1A1 (0.47) ALDH1A1RAB9ASMN1; SMN2NPC1TSHR
SCHEMBL9201784 0.78 NPC1 (0.47) ALDH1A1RAB9ASMN1; SMN2NPC1TP53

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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