SCHEMBL9507468

SCHEMBL9507468

O=C(c1ccc([N+](=O)[O-])cc1)N(c1ccccc1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.64
CRHR2 Q13324 2/20 0.64
HTT P42858 1/20 0.64
CES1 P23141 2/20 0.62
CES2 O00748 1/20 0.62
ALDH1A1 P00352 6/20 0.59
ATM Q13315 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
TLR9 Q9NR96 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
TDP1 Q9NUW8 1/20 0.58
MAPK1 P28482 2/20 0.57
POLB P06746 1/20 0.57
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
SRD5A2 P31213 1/20 0.53
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
CYP1B1 Q16678 1/20 0.51

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
SCHEMBL11674649 0.88 CRHBP (0.59) CRHBPCRHR2HTTCES1CES2
SCHEMBL838254 0.86 CRHBP (0.60) CRHBPCRHR2HTTCES1CES2
SCHEMBL32679986 0.86 HTT (0.55) CRHBPCRHR2HTTCES1CES2
SCHEMBL11264333 0.85 CRHBP (0.59) CRHBPCRHR2HTTCES1CES2
SCHEMBL7379932 0.85 ATM (0.75) CRHBPCRHR2HTTCES1CES2
SCHEMBL9001693 0.84 NPSR1 (0.61) HTTALDH1A1ATMMEN1KMT2A
SCHEMBL14875538 0.84 ALDH1A1 (0.58) CRHBPCRHR2HTTCES1CES2
SCHEMBL2112582 0.84 ESR1 (0.54) CRHBPCRHR2HTTCES1CES2
SCHEMBL1948739 0.84 CES1 (0.66) CRHBPCRHR2HTTCES1CES2
SCHEMBL21247872 0.84 ALDH1A1 (0.67) CRHBPCRHR2HTTCES1CES2

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-0345551-B1 EASILY FLOWABLE DELAYED CRYSTALLISING POLYARYLENE SULFIDE-MIXTURES BAYER AG (DE) 1993-09-08 EP claimed