SCHEMBL9742180

SCHEMBL9742180

O=CNc1ccc(C(c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.46
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TP53 P04637 1/20 0.42
CASP3 P42574 1/20 0.42
HTT P42858 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
FFAR1 O14842 1/20 0.42
ALDH1A1 P00352 3/20 0.42
NPY5R Q15761 1/20 0.42
LTA4H P09960 1/20 0.42
PTGS2 P35354 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
GPR17 Q13304 2/20 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
SCHEMBL9157220 0.89 ALDH1A1 (0.51) PGRKDM4EMEN1MAPTKMT2A
SCHEMBL9740641 0.88 MAPT (0.49) CRHBPCRHR2KDM4EMEN1MAPT
SCHEMBL9291230 0.86 KIF11 (0.45) MEN1MAPTKMT2ANPSR1TP53
SCHEMBL10356228 0.84 NPY5R (0.52) PGRCRHBPCRHR2KDM4EMEN1
SCHEMBL9741238 0.83 ALDH1A1 (0.56) PGRKDM4EMEN1MAPTKMT2A
SCHEMBL9742526 0.83 MEN1 (0.47) PGRKDM4EMEN1MAPTKMT2A
SCHEMBL9741059 0.81 PTPN1 (0.42) PGRKDM4EMEN1MAPTKMT2A
SCHEMBL9741670 0.81 KDM4E (0.58) CRHBPCRHR2KDM4EMEN1KMT2A
SCHEMBL9740873 0.80 ALDH1A1 (0.49) CRHBPCRHR2KDM4EMEN1MAPT
SCHEMBL30334516 0.79 ALDH1A1 (0.54) PGRKDM4EMEN1MAPTKMT2A

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
US-5110983-A Intermediates for heat-resistant polyamides and polyimides HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-05 US disclosed