SCHEMBL31389529

SCHEMBL31389529

OC1CC(n2c(C(F)(F)F)nc3ccccc32)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.47
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
FPR2 P25090 1/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
EGFR P00533 3/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41
PIK3CB P42338 1/20 0.41
MAPT P10636 1/20 0.41
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.38

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
SCHEMBL31389471 0.82 CYP11B2 (0.36) CCR5FPR2EGFR
SCHEMBL13543531 0.82 CCR5 (0.45) CCR5ALDH1A1KDM4EHPGDFPR2
SCHEMBL31389849 0.82 RPS6KA5 (0.38) CCR5FPR2CYP2D6EGFR
SCHEMBL3524871 0.82 CCR5 (0.45) CCR5ALDH1A1KDM4EHPGDFPR2
SCHEMBL3527138 0.80 CCR5 (0.55) CCR5FPR2CYP2C9CYP2C19CYP1A2
SCHEMBL31389550 0.79 POLB (0.37) CCR5MAPTTP53KMT2A
SCHEMBL31389485 0.79 POLB (0.58) ALDH1A1MAPK1TSHRMAPTTP53
SCHEMBL8223841 0.78 CCR5 (0.46) CCR5ALDH1A1KDM4EHPGDFPR2
SCHEMBL31389484 0.77 FPR2 (0.42) CCR5ALDH1A1KDM4EHPGDFPR2
SCHEMBL22725453 0.76 NOS2 (0.46) CCR5ALDH1A1CYP1A2CYP2D6EGFR

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-2025043225-A2 DEGRADERS OF CYCLIN-DEPENDENT KINASE 2 GENENTECH, INC. (US) 2025-02-27 WO disclosed