SCHEMBL6672301

SCHEMBL6672301

Cc1coc2ccc(C(F)(F)F)cc12.O=c1cccnn1S

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 2/20 0.35
▸ MAOB P27338 1/20 0.33
▸ AKR1B1 P15121 1/20 0.33
▸ CYP17A1 P05093 1/20 0.32
▸ MAT2A P31153 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ TRPV1 Q8NER1 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NOTUM Q6P988 1/20 0.32
▸ TNF P01375 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ EPHX2 P34913 2/20 0.31
▸ TNFSF11 O14788 1/20 0.31

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
SCHEMBL4446704 0.78 KIF11 (0.42) KCNA3MAOBAKR1B1MAPTTP53
SCHEMBL6672298 0.67 AKR1B1 (0.41) MAOBAKR1B1
SCHEMBL17324007 0.67 CA1 (0.40) KCNA3MAPTTP53SMN1; SMN2NOTUM
SCHEMBL13561307 0.65 PON1 (0.41) KCNA3MAPTKDM4EALDH1A1
SCHEMBL21116465 0.63 TP53 (0.46) MAOBMAPTTP53SMN1; SMN2EPHX2
SCHEMBL18015849 0.61 MTNR1A (0.45) MAPTTP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL25027174 0.61 ALDH1A1 (0.42) MAT2AMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL31053833 0.61 ALDH1A1 (0.42) MAT2AMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL20274083 0.61 EPHX2 (0.41) MAOBMAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL17107553 0.61 PTPN1 (0.50) MAOBKDM4EEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373259-A1 PYRIDAZINONE ALDOSE REDUCTASE INHIBITORS Pfizer Products Inc. (US) 2004-01-02 — — EP disclosed
WO-2002079198-A1 PYRIDAZINONE ALDOSE REDUCTASE INHIBITORS PFIZER PRODUCTS INC. (US) 2002-10-10 — — WO disclosed
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