SCHEMBL22955331

SCHEMBL22955331

O=C(c1ccc(F)c(F)c1)n1c(-c2ccc(-c3ccccc3)cc2)nc2ccc(Cl)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 3/20 0.52
KDM4E B2RXH2 2/20 0.52
CYP1A2 P05177 1/20 0.52
GAA P10253 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTT P42858 2/20 0.49
HPGD P15428 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
CNR2 P34972 1/20 0.46
POLB P06746 1/20 0.45
PGR P06401 1/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL22956058 0.94 KDM4E (0.47) RAB9ASMN1; SMN2NPC1KDM4ECYP1A2
SCHEMBL22955328 0.91 CNR2 (0.46) RAB9ASMN1; SMN2NPC1KDM4ECYP1A2
SCHEMBL22955903 0.88 POLB (0.41) RAB9ASMN1; SMN2NPC1KDM4ECYP1A2
SCHEMBL22955295 0.86 RAB9A (0.62) RAB9ASMN1; SMN2NPC1KDM4ECYP1A2
SCHEMBL22955416 0.85 RAB9A (0.52) RAB9ASMN1; SMN2NPC1KDM4ECYP1A2
SCHEMBL22956057 0.85 PGR (0.43) RAB9ASMN1; SMN2NPC1KDM4ECYP1A2
SCHEMBL22956056 0.83 SMN1; SMN2 (0.39) RAB9ASMN1; SMN2NPC1KDM4ECYP1A2
SCHEMBL22955852 0.82 KDM4E (0.39) RAB9ASMN1; SMN2NPC1KDM4ECYP1A2
SCHEMBL22955554 0.82 CHRM5 (0.41) RAB9ASMN1; SMN2NPC1KDM4ECYP1A2
SCHEMBL22956045 0.81 PGR (0.43) RAB9ASMN1; SMN2NPC1KDM4ECYP1A2

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-2021022061-A1 ARYL HYDROCARBON RECEPTOR ACTIVATORS OREGON STATE UNIVERSITY (US) 2021-02-04 WO disclosed