SCHEMBL31493111

SCHEMBL31493111

[2H]C([2H])([2H])C([2H])([2H])Oc1cnc(Br)cc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ LCK P06239 1/20 0.37
▸ FYN P06241 1/20 0.37
▸ GABRP O00591 3/20 0.34
▸ GABRD O14764 3/20 0.34
▸ GABRA1 P14867 3/20 0.34
▸ GABRB1 P18505 3/20 0.34
▸ GABRG2 P18507 3/20 0.34
▸ GABRB3 P28472 3/20 0.34
▸ GABRA5 P31644 3/20 0.34
▸ GABRA3 P34903 3/20 0.34
▸ GABRA2 P47869 3/20 0.34
▸ GABRB2 P47870 3/20 0.34
▸ GABRA4 P48169 3/20 0.34
▸ GABRE P78334 3/20 0.34
▸ GABRA6 Q16445 3/20 0.34
▸ GABRG1 Q8N1C3 3/20 0.34
▸ GABRG3 Q99928 3/20 0.34
▸ GABRQ Q9UN88 3/20 0.34

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
SCHEMBL30427170 0.82 TSHR (0.60) HSD17B10TSHRLCKFYNGABRP
SCHEMBL23535454 0.82 TSHR (0.60) HSD17B10TSHRLCKFYNGABRP
SCHEMBL16333723 0.78 LCK (0.55) HSD17B10TSHRLCKFYNKDM4E
SCHEMBL31492972 0.78 TSHR (0.41) HSD17B10TSHRLCKFYNKDM4E
SCHEMBL22583371 0.78 ALDH1A1 (0.45) HSD17B10TSHRLCKFYNALDH1A1
SCHEMBL31492990 0.76 KDM4E (0.45) KDM4EALDH1A1GAA
SCHEMBL31493053 0.75 TSHR (0.37) HSD17B10TSHRLCKFYNGABRP
SCHEMBL32667088 0.75 TSHR (0.38) HSD17B10TSHRLCKFYNKDM4E
SCHEMBL32667097 0.75 TSHR (0.38) HSD17B10TSHRLCKFYNGABRP
SCHEMBL30756644 0.74 PIM1 (0.43) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119894879-A Tyrosine kinase 2 inhibitors and uses thereof 渤健马萨诸塞州股份有限公司 2025-04-25 — — CN disclosed
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