SCHEMBL9050102

SCHEMBL9050102

O=[N+]([O-])c1ccc(CN(c2ccc(Oc3ccccc3)cc2)C(c2c[nH]cn2)C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.45
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MGLL Q99685 1/20 0.35
LTA4H P09960 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
KCNH2 Q12809 1/20 0.33
CETP P11597 1/20 0.33
MAPT P10636 2/20 0.33
CHEK2 O96017 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL9052107 0.92 NR3C1 (0.39) NR3C1GRIN1GRIN2BALDH1A1LMNA
SCHEMBL9051254 0.78 KDM4E (0.46) ALDH1A1LMNASMN1; SMN2CRHBPCRHR2
SCHEMBL9056541 0.76 FFAR1 (0.41) ALDH1A1MEN1KMT2ACETPMAPT
SCHEMBL457863 0.64 HSPB1 (0.68) NR3C1ALDH1A1LMNASMN1; SMN2CRHBP
SCHEMBL9351277 0.63 CYP19A1 (0.46) ALDH1A1LMNAKMT2AKCNH2MAPT
SCHEMBL11170684 0.63 CRHBP (0.66) NR3C1ALDH1A1SMN1; SMN2CRHBPCRHR2
SCHEMBL27949945 0.63 CRHBP (0.57) NR3C1ALDH1A1LMNASMN1; SMN2CRHBP
SCHEMBL9081359 0.61 PTPRF (0.58) NR3C1ALDH1A1LMNASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL8351982 0.61 KMT2A (0.39) LMNASMN1; SMN2MEN1KMT2A
SCHEMBL6733709 0.60 MAPT (0.66) LMNAMEN1KMT2AMAPT

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-1996037204-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-11-28 WO disclosed