SCHEMBL31435233

SCHEMBL31435233

C[C@H]1C[C@@H](C(=O)Nc2cncc(C(F)(F)F)c2)CCN1Cc1noc(-c2ccc(F)c(C(F)(F)F)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 6/20 0.38
RXFP3 Q9NSD7 1/20 0.36
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
S1PR1 P21453 3/20 0.35
GSK3B P49841 1/20 0.35
MAPK14 Q16539 1/20 0.35
KDR P35968 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MPL P40238 2/20 0.34

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
SCHEMBL31435252 1.00 ACKR3 (0.38) ACKR3RXFP3UBE2MDCUN1D1S1PR1
SCHEMBL31435225 0.91 UBE2M (0.46) ACKR3UBE2MDCUN1D1MEN1KMT2A
SCHEMBL31435222 0.91 UBE2M (0.46) ACKR3UBE2MDCUN1D1MEN1KMT2A
SCHEMBL31435231 0.91 UBE2M (0.46) ACKR3UBE2MDCUN1D1MEN1KMT2A
SCHEMBL31435264 0.86 ACKR3 (0.42) ACKR3S1PR1GSK3BMAPK14KDR
SCHEMBL31435223 0.86 ACKR3 (0.42) ACKR3S1PR1GSK3BMAPK14KDR
SCHEMBL31435253 0.84 S1PR1 (0.46) S1PR1MPL
SCHEMBL31435263 0.84 S1PR1 (0.46) S1PR1MPL
SCHEMBL31435258 0.83 ACKR3 (0.46) ACKR3S1PR1GSK3BMAPK14
SCHEMBL31435243 0.83 S1PR1 (0.41) ACKR3S1PR1ALDH1A1

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
WO-2025090928-A1 COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISEASES AQUINNAH PHARMACEUTICALS, INC. (US) 2025-05-01 WO claimed
WO-2025090928-A1 COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISEASES AQUINNAH PHARMACEUTICALS, INC. (US) 2025-05-01 WO disclosed