SCHEMBL21291183

SCHEMBL21291183

Cc1cccc(OP(OCCC#N)N(C(C)C)C(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.34
ACHE P22303 1/20 0.34
HTT P42858 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TBXA2R P21731 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DRD2 P14416 2/20 0.32
DRD4 P21917 2/20 0.32
DRD3 P35462 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31

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
SCHEMBL27474 0.85 ALDH1A1 (0.34) ALDH1A1LMNA
SCHEMBL24759038 0.84 LMNA (0.34) HTTLMNAL3MBTL1
SCHEMBL21291256 0.84 GLA (0.31)
SCHEMBL8456693 0.83 MAOB (0.39) HTTALDH1A1KMT2ASMN1; SMN2
SCHEMBL21291241 0.81
SCHEMBL24759140 0.76 ALDH1A1 (0.33) ALDH1A1LMNAKMT2ASMN1; SMN2KDM4E
SCHEMBL383731 0.74 TSHR (0.32)
SCHEMBL24759087 0.73 KIF11 (0.36) ALDH1A1LMNAKMT2ASMN1; SMN2KDM4E
SCHEMBL4818972 0.73 TSHR (0.31)
SCHEMBL24759389 0.72 TSHR (0.36) ARMAPTL3MBTL1KDM4E

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-2019161213-A1 TRIALKYNE LINKING AGENTS AND METHODS OF USE Arrowhead Pharmaceuticals, Inc. (US) 2019-08-22 WO disclosed