SCHEMBL30967532

SCHEMBL30967532

COC(=O)c1cc2c(OCC(F)(F)F)nccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.39
▸ SRC P12931 2/20 0.39
▸ GABRA1 P14867 7/20 0.39
▸ GABRG2 P18507 7/20 0.39
▸ GABRB3 P28472 7/20 0.39
▸ GABRA5 P31644 7/20 0.39
▸ GABRA3 P34903 7/20 0.39
▸ GABRA2 P47869 7/20 0.39
▸ XDH P47989 1/20 0.39
▸ GABRA4 P48169 6/20 0.38
▸ GABRA6 Q16445 5/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ TDO2 P48775 1/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ ULK1 O75385 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL30967513 0.88 ULK1 (0.39) ABL1SRCGABRA1GABRG2GABRB3
SCHEMBL30967503 0.84 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30310440 0.83 CYP1A2 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL23102527 0.83 CYP1A2 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30967483 0.82 XDH (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL13175943 0.76 DYRK1A (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30967478 0.75 CYP1A2 (0.44) ABL1SRCGABRA1GABRG2GABRB3
SCHEMBL1255142 0.75 CYP1A2 (0.44) ABL1SRCGABRA1GABRG2GABRB3
SCHEMBL31092842 0.73 ALDH1A1 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1254304 0.73 MEN1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3

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-4615838-A1 SUBSTITUTED BI-AND TRICYCLIC HSET INHIBITORS Merck Patent GmbH (DE) 2025-09-17 — — EP disclosed
WO-2024099898-A1 SUBSTITUTED BI-AND TRICYCLIC HSET INHIBITORS MERCK PATENT GMBH (DE) 2024-05-16 — — WO disclosed
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