SCHEMBL29333346

SCHEMBL29333346

N#Cc1cc(OF)cc(Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
ADRB2 P07550 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
NQO1 P15559 1/20 0.33
KHK P50053 1/20 0.31
PIK3C3 Q8NEB9 1/20 0.31
S1PR2 O95136 1/20 0.30
GAA P10253 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL7048544 0.82 KDM4E (0.53) KDM4EMAPTSMN1; SMN2LMNATDP1
SCHEMBL19697639 0.77 SMN1; SMN2 (0.51) KDM4EMAPTSMN1; SMN2LMNAADRB2
SCHEMBL30938605 0.77 SMN1; SMN2 (0.51) KDM4EMAPTSMN1; SMN2LMNAADRB2
SCHEMBL29331705 0.76 AR (0.43) KDM4EMAPTSMN1; SMN2LMNAADRB2
SCHEMBL31420086 0.75 KDM4E (0.38) KDM4EMAPTSMN1; SMN2LMNAADRB2
SCHEMBL26986671 0.75 KDM4E (0.38) KDM4EMAPTSMN1; SMN2LMNAADRB2
SCHEMBL31127281 0.74 KDM4E (0.36) KDM4EMAPTSMN1; SMN2LMNAADRB2
SCHEMBL7052498 0.74 KDM4E (0.36) KDM4EMAPTSMN1; SMN2LMNAADRB2
SCHEMBL29331661 0.73 CACNA1H (0.39) KDM4E
SCHEMBL25762549 0.73 HRH3 (0.40) KDM4EMAPTSMN1; SMN2LMNAADRB2

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-2024151919-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2024-07-18 WO disclosed