SCHEMBL31013249

SCHEMBL31013249

CN1CCN(c2ncc(C(F)(F)F)cc2[N+](=O)[O-])CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.52
SIRT6 Q8N6T7 3/20 0.51
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 2/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 4/20 0.48
NR1H2 P55055 1/20 0.48
NR1H3 Q13133 1/20 0.48
HRH4 Q9H3N8 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
STAT3 P40763 1/20 0.45
MET P08581 2/20 0.44
MAPT P10636 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL29274207 0.84 SMN1; SMN2 (0.60) CXCR3ALDH1A1MAPK1HTTSMN1; SMN2
SCHEMBL29274197 0.84 SMN1; SMN2 (0.48) CXCR3ALDH1A1MAPK1HTTSMN1; SMN2
SCHEMBL31013298 0.83 CXCR3 (0.53) CXCR3ALDH1A1MAPK1HTTSMN1; SMN2
SCHEMBL31013257 0.82 MAPT (0.62) CXCR3ALDH1A1MAPK1HTTSMN1; SMN2
SCHEMBL31013272 0.82 MAPT (0.62) CXCR3ALDH1A1MAPK1HTTSMN1; SMN2
SCHEMBL1981534 0.81 ALDH1A1 (0.74) SIRT6ALDH1A1MAPK1HTTSMN1; SMN2
SCHEMBL31410495 0.81 MEN1 (0.53) CXCR3ALDH1A1SMN1; SMN2LMNANR1H2
SCHEMBL29841916 0.81 MEN1 (0.53) CXCR3ALDH1A1SMN1; SMN2LMNANR1H2
SCHEMBL24968952 0.80 SMN1; SMN2 (0.51) CXCR3ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL31013296 0.80 CXCR3 (0.51) CXCR3ALDH1A1MAPK1HTTSMN1; SMN2

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-4646263-A1 SPRK1 INHIBITORS AND METHODS OF USE Allianthera (Suzhou) Biopharmaceutical Co., Ltd. (CN) 2025-11-12 EP disclosed
WO-2024155864-A1 SPRK1 INHIBITORS AND METHODS OF USE ALLIANTHERA (SUZHOU) BIOPHARMACEUTICAL CO., LTD. (CN) 2024-07-25 WO disclosed