SCHEMBL29696309

SCHEMBL29696309

FC(F)(F)c1ccc(-n2cccn2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.53
▸ KMT2A Q03164 2/20 0.48
▸ KDM4E B2RXH2 6/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ HCRTR1 O43613 2/20 0.43
▸ FAAH O00519 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ APAF1 O14727 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ CHRNA7 P36544 1/20 0.41
▸ CXCR4 P61073 1/20 0.41
▸ CYP2C19 P33261 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40

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
SCHEMBL19954279 1.00 LMNA (0.53) LMNAKMT2AKDM4EALDH1A1HCRTR1
SCHEMBL13990481 0.83 LMNA (0.53) LMNAKMT2AKDM4EALDH1A1RXFP1
SCHEMBL3462062 0.77 LMNA (0.57) LMNAKMT2AKDM4EALDH1A1RXFP1
SCHEMBL28987735 0.77 ADORA2A (0.43) LMNAKMT2AKDM4EALDH1A1HCRTR1
SCHEMBL27150414 0.77 ADRB1 (0.49) LMNAKMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL10688400 0.77 NOTUM (0.50) LMNAKDM4EALDH1A1FAAHL3MBTL1
SCHEMBL21851483 0.76 LMNA (0.46) LMNAKMT2AKDM4EALDH1A1HCRTR1
SCHEMBL27792203 0.75 MAPT (0.45) LMNAKMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL3318259 0.75 NOTUM (0.58) KDM4EALDH1A1MAPTCHRNA7
SCHEMBL2728318 0.74 LMNA (0.57) LMNAKMT2AKDM4EALDH1A1RXFP1

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
EP-4003986-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-06-01 — — EP disclosed
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