SCHEMBL26288685

SCHEMBL26288685

CC(C)c1c(C(F)(F)F)nn2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.42
PDE5A O76074 6/20 0.42
PDE3A Q14432 4/20 0.42
MIF P14174 2/20 0.42
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
PDE4A P27815 1/20 0.42
CYP2C19 P33261 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE3B Q13370 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
SCHEMBL25024692 0.85 PDE4B (0.43) PDE4BPDE5APDE3AMIFADORA2A
SCHEMBL6629043 0.78 ALDH1A1 (0.36) PDE4BPDE5APDE3AMIFADORA2A
SCHEMBL4183274 0.76 EGFR (0.36) PDE4BPDE5APDE3AMIFADORA2A
SCHEMBL16739779 0.76 EGFR (0.36) PDE4BPDE5APDE3AMIFADORA2A
SCHEMBL5847138 0.76 PDE4B (0.46) PDE4BPDE5APDE3AMIFADORA2A
SCHEMBL14788381 0.76 PDE4B (0.58) PDE4BPDE5APDE3AMIFADORA2A
SCHEMBL26029443 0.75 ALDH1A1 (0.36) PDE4BPDE5APDE3AMIFADORA2A
SCHEMBL6629042 0.75 EGFR (0.35) PDE4BPDE5APDE3AMIFADORA2A
SCHEMBL21863677 0.75 EGFR (0.41) PDE4BPDE5APDE3AMIFADORA2A
SCHEMBL19827362 0.75 PDE4B (0.49) PDE4BPDE5APDE3AMIFADORA2A

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-2023164234-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 WO disclosed