SCHEMBL22955656

SCHEMBL22955656

COC(=O)c1ccc2c(c1)nc(-c1cccc3ccccc13)n2Cc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.51
TBXA2R P21731 5/20 0.51
PTGER4 P35408 5/20 0.51
ENPP2 Q13822 1/20 0.50
PPARG P37231 1/20 0.49
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.46
CFTR P13569 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
EHMT2 Q96KQ7 1/20 0.43

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
SCHEMBL22955655 0.93 DRD2 (0.51) DRD2TBXA2RPTGER4ENPP2LMNA
SCHEMBL22955497 0.91 DRD2 (0.62) DRD2TBXA2RPTGER4ENPP2PPARG
SCHEMBL22955895 0.91 DRD2 (0.49) DRD2TBXA2RPTGER4ENPP2PPARG
SCHEMBL22955358 0.89 ENPP2 (0.49) DRD2TBXA2RPTGER4ENPP2PPARG
SCHEMBL22955362 0.84 DRD2 (0.62) DRD2TBXA2RPTGER4ENPP2MAPT
SCHEMBL22955691 0.83 DRD2 (0.49) DRD2TBXA2RPTGER4ENPP2CFTR
SCHEMBL22955618 0.83 CNR2 (0.51) PTGER4LMNAMAPTKMT2APOLB
SCHEMBL2161533 0.82 KDM4E (0.68) PPARGKDM4ELMNAMAPTTP53
SCHEMBL22955585 0.81 PTGER4 (0.48) PTGER4MAPTKMT2A
SCHEMBL2100541 0.80 KDM4E (0.55) DRD2TBXA2RPPARGKDM4ELMNA

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