SCHEMBL31013296

SCHEMBL31013296

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.51
HTT P42858 3/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
POLB P06746 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SCN10A Q9Y5Y9 5/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SLC6A9 P48067 1/20 0.41
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL31013274 0.88 CXCR3 (0.49) CXCR3HTTALDH1A1MAPK1CYP2C9
SCHEMBL31013298 0.87 CXCR3 (0.53) CXCR3HTTALDH1A1MAPK1POLB
SCHEMBL29274197 0.81 SMN1; SMN2 (0.48) CXCR3HTTALDH1A1MAPK1POLB
SCHEMBL31013249 0.80 CXCR3 (0.52) CXCR3HTTALDH1A1MAPK1POLB
SCHEMBL31013257 0.78 MAPT (0.62) CXCR3HTTALDH1A1MAPK1POLB
SCHEMBL31013272 0.78 MAPT (0.62) CXCR3HTTALDH1A1MAPK1POLB
SCHEMBL29274207 0.77 SMN1; SMN2 (0.60) CXCR3HTTALDH1A1MAPK1POLB
SCHEMBL31013279 0.76 MAPT (0.52) CXCR3HTTALDH1A1POLBCYP2C9
SCHEMBL31410495 0.76 MEN1 (0.53) CXCR3ALDH1A1NR1H2NR1H3SMN1; SMN2
SCHEMBL29841916 0.76 MEN1 (0.53) CXCR3ALDH1A1NR1H2NR1H3SMN1; 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