SCHEMBL30482352

SCHEMBL30482352

Cn1c(=O)n(Cc2ccccc2C(F)(F)F)c(=O)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.52
▸ NPC1 O15118 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ PARG Q86W56 2/20 0.49
▸ SLC9A1 P19634 1/20 0.49
▸ NPEPPS P55786 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ C5AR1 P21730 4/20 0.46
▸ ERCC1 P07992 1/20 0.46
▸ FEN1 P39748 1/20 0.46
▸ ERCC4 Q92889 1/20 0.46
▸ THRB P10828 1/20 0.45
▸ TNF P01375 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
SCHEMBL24247609 0.81 TSHR (0.59) TSHRKDM4EHTTALDH1A1TDP1
SCHEMBL19555085 0.76 MAPK8 (0.66) PARGSLC9A1ERCC1FEN1ERCC4
SCHEMBL6363131 0.74 MAPK8 (0.64) TSHRKDM4ELMNAMAPK1HTT
SCHEMBL24030794 0.73 HDAC1 (0.73) HTT
SCHEMBL31227182 0.72 TSHR (0.41) TSHRKDM4ELMNAMAPK1HTT
SCHEMBL30482353 0.72 GNRHR (0.43) TSHRKDM4ELMNAMAPK1HTT
SCHEMBL17241596 0.72 TSHR (0.62) TSHRKDM4ELMNAALDH1A1TDP1
SCHEMBL6509732 0.72 MEN1 (0.60) TSHRSLC9A1MEN1KMT2AERCC1
SCHEMBL5039317 0.72 ERCC1 (0.57) TSHRKDM4ELMNAMAPK1HTT
SCHEMBL11884498 0.72 ERCC1 (0.62) TSHRKDM4ELMNAMAPK1HTT

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-4469451-A1 2-SUBSTITUTED THIAZOLE HSD17B13 INHIBITORS AND USES THEREOF Inipharm, Inc. (US) 2024-12-04 — — EP disclosed
WO-2023146897-A1 2-SUBSTITUTED THIAZOLE HSD17B13 INHIBITORS AND USES THEREOF INIPHARM, INC. (US) 2023-08-03 — — WO disclosed
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