SCHEMBL28528964

SCHEMBL28528964

COc1ccc2c(c1)nc1ccc(C)cc1[n+]2[O-]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.67
CRHR2 Q13324 1/20 0.67
KEAP1 Q14145 1/20 0.67
NFE2L2 Q16236 1/20 0.67
KDM4E B2RXH2 6/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 3/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
NQO2 P16083 1/20 0.46
CYP1A2 P05177 1/20 0.40
CYP2E1 P05181 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 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
SCHEMBL15010394 0.80 CRHBP (1.00) CRHBPCRHR2KEAP1NFE2L2KDM4E
SCHEMBL28532290 0.78 CRHBP (0.64) CRHBPCRHR2KEAP1NFE2L2KDM4E
SCHEMBL10170806 0.76 ALDH1A1 (0.71) KDM4EKMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL12336356 0.73 CRHBP (0.43) CRHBPCRHR2KEAP1NFE2L2KDM4E
SCHEMBL14983351 0.71 ALDH1A1 (0.53) KDM4EKMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL10214298 0.69 MEN1 (0.87) CRHBPCRHR2KEAP1NFE2L2KDM4E
SCHEMBL14344241 0.67 KMT2A (0.46) KDM4EKMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL18809011 0.67 NCF1 (0.57) KDM4EKMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL2777957 0.67 CRHBP (0.43) CRHBPCRHR2KEAP1NFE2L2KDM4E
SCHEMBL2776738 0.67 CRHBP (0.43) CRHBPCRHR2KEAP1NFE2L2KDM4E

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
CN-107915687-B High-efficiency preparation method of polysubstituted phenazine derivative and oxide thereof 清华大学 2021-02-26 CN disclosed