SCHEMBL29094832

SCHEMBL29094832

Cc1ccc(C=[N+]([O-])Cc2ccccc2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.35
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CRHBP P24387 1/20 0.35
CYP2C19 P33261 1/20 0.35
CRHR2 Q13324 1/20 0.35
POLB P06746 1/20 0.35
BCHE P06276 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
LMNA P02545 4/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 4/20 0.33
HPGD P15428 3/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL29094803 0.81 HTT (0.42) CYP1A2CYP3A4CYP2C19POLBBCHE
SCHEMBL29094804 0.81 FBP1 (0.45) MAPTBCHENPC1RAB9AALDH1A1
SCHEMBL29094775 0.79 RELA (0.46) MAPTKMT2AMEN1BCHESMN1; SMN2
SCHEMBL20562244 0.79 BCHE (0.41) MAPTKMT2AMEN1POLBBCHE
SCHEMBL268060 0.79 BCHE (0.41) MAPTKMT2AMEN1POLBBCHE
SCHEMBL76727 0.79 BCHE (0.41) MAPTKMT2AMEN1POLBBCHE
SCHEMBL11415151 0.75 ALDH1A1 (0.56) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL29094816 0.75 G6PD (0.51) MAPTBCHENPC1ALDH1A1
SCHEMBL29094776 0.75 G6PD (0.51) MAPTKMT2AMEN1BCHELMNA
SCHEMBL29094784 0.75 ALDH1A1 (0.56) MAPTBCHENPC1RAB9AALDH1A1

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-115583970-A Method for preparing alpha- (hydroxy amino) diaryl phosphine oxide from nitrone 华北理工大学 2023-01-10 CN disclosed