SCHEMBL31648679

SCHEMBL31648679

CCOC(=O)Cn1nc2c(c1C(F)(F)F)CCC2C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLQ O75417 4/20 0.43
▸ TRPM2 O94759 1/20 0.43
▸ PTGS2 P35354 1/20 0.41
▸ MAPK1 P28482 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35

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
Hydrochloric Acid SCHEMBL31648774 0.91 POLQ (0.38) POLQTRPM2PTGS2MAPK1HSD17B10
SCHEMBL31648550 0.87 TRPM2 (0.42) POLQTRPM2PTGS2MAPK1HSD17B10
SCHEMBL31648461 0.84 POLQ (0.47) POLQALDH1A1HTTTSHR
SCHEMBL31648301 0.84 MAPK1 (0.41) TRPM2MAPK1HSD17B10POLBKDM4E
SCHEMBL31648799 0.80 PTGS2 (0.41) POLQTRPM2PTGS2MAPK1HSD17B10
Hydrochloric Acid SCHEMBL31648923 0.79 TRPM2 (0.37) POLQTRPM2PTGS2MAPK1HSD17B10
SCHEMBL31648715 0.79 PTGS2 (0.40) POLQTRPM2PTGS2MAPK1HSD17B10
SCHEMBL14487510 0.78 PTGS2 (0.40) POLQTRPM2PTGS2MAPK1HSD17B10
SCHEMBL14484403 0.78 POLQ (0.58) POLQTRPM2PTGS2MAPK1HSD17B10
SCHEMBL14488499 0.77 PTGS2 (0.43) POLQTRPM2PTGS2MAPK1HSD17B10

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
WO-2025132946-A1 PHENYLPYRROLIDINE DERIVATIVES AND THEIR USE AS POI-THETA DERIVATIVES BREAKPOINT THERAPEUTICS GMBH (DE) 2025-06-26 — — WO disclosed
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