SCHEMBL31474567

SCHEMBL31474567

O=C(O)c1cc(C(F)(F)F)ccn1.[Ir]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.53
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 4/20 0.53
ASPH Q12797 3/20 0.53
ALKBH5 Q6P6C2 2/20 0.53
FTO Q9C0B1 2/20 0.53
KDM8 Q8N371 2/20 0.53
KDM6B O15054 1/20 0.53
TET3 O43151 1/20 0.53
KDM4A O75164 1/20 0.53
BBOX1 O75936 1/20 0.53
MAPT P10636 1/20 0.53
KDM5A P29375 1/20 0.53
KDM5C P41229 1/20 0.53
KDM4D Q6B0I6 1/20 0.53
TET2 Q6N021 1/20 0.53
KDM7A Q6ZMT4 1/20 0.53
TET1 Q8NFU7 1/20 0.53
EGLN2 Q96KS0 1/20 0.53
EGLN1 Q9GZT9 1/20 0.53

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
SCHEMBL222146 0.98 KDM4E (0.55) MRGPRX4KDM4EALDH1A1ASPHALKBH5
SCHEMBL29537506 0.98 KDM4E (0.55) MRGPRX4KDM4EALDH1A1ASPHALKBH5
SCHEMBL29838843 0.85 NOS3 (0.52) MRGPRX4ALDH1A1ALKBH5FTOKMO
SCHEMBL25199126 0.85 KDM4E (0.53) MRGPRX4KDM4EALDH1A1ASPHALKBH5
SCHEMBL29537984 0.84 KDM4E (0.52) MRGPRX4KDM4EALDH1A1ASPHALKBH5
SCHEMBL29537298 0.84 KDM4E (0.52) MRGPRX4KDM4EALDH1A1ASPHALKBH5
SCHEMBL16094569 0.84 KDM4E (0.52) MRGPRX4KDM4EALDH1A1ASPHALKBH5
SCHEMBL16094684 0.84 KDM4E (0.52) MRGPRX4KDM4EALDH1A1ASPHALKBH5
SCHEMBL2678073 0.81 KMT2A (0.56) MRGPRX4KDM4EALDH1A1NOS3NOS2
SCHEMBL18424128 0.81 NOS3 (0.48) MRGPRX4ALDH1A1ALKBH5FTOKMO

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
CN-119591507-A Gem-difluorocyclopentane compounds and methods of synthesizing the same 南通大学 2025-03-11 CN claimed
CN-119591507-A Gem-difluorocyclopentane compounds and methods of synthesizing the same 南通大学 2025-03-11 CN disclosed