SCHEMBL27313359

SCHEMBL27313359

COC(=O)c1cccnc1OC(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.61
DHODH Q02127 1/20 0.50
MAP2K1 Q02750 1/20 0.48
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
PKM P14618 1/20 0.46
POLB P06746 2/20 0.45
ATM Q13315 1/20 0.45
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
ABL1 P00519 1/20 0.44
KDR P35968 1/20 0.44
TSHR P16473 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
CNR2 P34972 1/20 0.43

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
SCHEMBL22235655 0.83 TDP1 (0.57) TDP1MAP2K1MAPTALDH1A1HTT
SCHEMBL311206 0.83 TDP1 (0.69) TDP1MAP2K1MAPTALDH1A1HTT
SCHEMBL30087468 0.81 DHODH (0.57) TDP1DHODHMAPTALDH1A1SMN1; SMN2
SCHEMBL2301749 0.81 DHODH (0.57) TDP1DHODHMAPTALDH1A1SMN1; SMN2
SCHEMBL1373668 0.81 TDP1 (0.58) TDP1DHODHMAP2K1MAPTALDH1A1
SCHEMBL22466616 0.80 TDP1 (0.43) TDP1DHODHMAP2K1ALDH1A1KDM4E
SCHEMBL20916924 0.80 RAB9A (0.55) DHODHMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL29477666 0.80 RAB9A (0.55) DHODHMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL28734386 0.80 TDP1 (0.72) TDP1ALDH1A1KDM4EATMLMNA
SCHEMBL28797930 0.80 TRPV1 (0.58) TDP1DHODHMAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4587014-A2 C5AR1 ANTAGONISTS AND USES THEREOF Vanqua Bio, Inc. (US) 2025-07-23 EP disclosed
WO-2024059096-A2 C5AR1 ANTAGONISTS AND USES THEREOF VANQUA BIO, INC. (US) 2024-03-21 WO disclosed
WO-2024059096-A2 C5AR1 ANTAGONISTS AND USES THEREOF VANQUA BIO, INC. (US) 2024-03-21 WO disclosed