SCHEMBL6603766

SCHEMBL6603766

FC(F)(F)c1ccc(-n2ccnc2[S])cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15B O15296 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
KCNH2 Q12809 2/20 0.40
KIF11 P52732 2/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NOS1 P29475 3/20 0.36
CYP11B2 P19099 1/20 0.35
PHGDH O43175 1/20 0.35
NOTUM Q6P988 1/20 0.35
XDH P47989 1/20 0.35
DHFR P00374 1/20 0.34
KMT2A Q03164 1/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33

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
SCHEMBL3599384 0.78 ALDH1A1 (0.57) ALOX15BL3MBTL1TDP1KCNH2ALDH1A1
SCHEMBL26964238 0.78 ALOX15B (0.49) ALOX15BL3MBTL1TDP1KCNH2KIF11
SCHEMBL10469438 0.76 CYP3A4 (0.46) ALOX15BL3MBTL1ALDH1A1KMT2A
SCHEMBL26964239 0.71 MCL1 (0.42) ALOX15BL3MBTL1TDP1KCNH2KIF11
SCHEMBL30553468 0.70 ALOX15B (0.43) ALOX15BL3MBTL1TDP1KCNH2KIF11
SCHEMBL30716464 0.68 KMT2A (0.42) ALOX15BL3MBTL1TDP1KCNH2ALDH1A1
SCHEMBL25382278 0.67 NOTUM (0.39) ALOX15BL3MBTL1KCNH2ALDH1A1NOTUM
SCHEMBL28337522 0.66 CDC7 (0.48) ALOX15BL3MBTL1TDP1
SCHEMBL11060269 0.66 TDP1 (0.47) TDP1KIF11ALDH1A1KDM4ECYP11B2
SCHEMBL28003186 0.66 NR1I2 (0.48) KCNH2ALDH1A1NOTUMKMT2A

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-1373217-A1 2-MERCAPTO-4,5-DIARYLIMIDAZOLE DERIVATIVES AND THE USE THEREOF AS CYCLOOXYGENASE INHIBITORS Beiersdorf AG (DE) 2004-01-02 EP disclosed
WO-2002076951-A1 2-MERCAPTO-4,5-DIARYLIMIDAZOLE DERIVATIVES AND THE USE THEREOF AS CYCLOOXYGENASE INHIBITORS BEIERSDORF AG (DE) 2002-10-03 WO disclosed