SCHEMBL29438462

SCHEMBL29438462

O=C1N(O)CCN1Cc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.65
▸ CYP2D6 P10635 2/20 0.65
▸ CYP2C19 P33261 2/20 0.65
▸ POLB P06746 2/20 0.65
▸ CYP2C9 P11712 1/20 0.65
▸ DRD3 P35462 2/20 0.54
▸ KCNH2 Q12809 2/20 0.54
▸ HDAC1 Q13547 1/20 0.50
▸ HPGD P15428 1/20 0.49
▸ DDB1 Q16531 1/20 0.49
▸ CRBN Q96SW2 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ F2 P00734 1/20 0.48
▸ PLG P00747 1/20 0.48
▸ ELANE P08246 1/20 0.48
▸ CTSG P08311 1/20 0.48
▸ CMA1 P23946 1/20 0.48
▸ CTRC Q99895 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ BRD4 O60885 1/20 0.47

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
SCHEMBL16416392 0.86 KMT2A (0.76) KMT2ACYP2D6CYP2C19POLBCYP2C9
SCHEMBL29450073 0.86 KMT2A (0.76) KMT2ACYP2D6CYP2C19POLBCYP2C9
SCHEMBL15382485 0.82 LMNA (0.45) KMT2ACYP2D6CYP2C19POLBCYP2C9
SCHEMBL6283961 0.79 CYP2D6 (1.00) KMT2ACYP2D6CYP2C19POLBCYP2C9
SCHEMBL11052192 0.78 KMT2A (0.59) KMT2ACYP2D6CYP2C19POLBCYP2C9
SCHEMBL22252441 0.78 POLB (0.65) KMT2ACYP2D6CYP2C19POLBCYP2C9
SCHEMBL8916010 0.78 POLB (0.60) KMT2ACYP2D6CYP2C19POLBCYP2C9
SCHEMBL7454333 0.76 DRD3 (0.65) KMT2ACYP2D6CYP2C19POLBCYP2C9
SCHEMBL11139482 0.75 KMT2A (0.57) KMT2ACYP2D6CYP2C19POLBCYP2C9
Hydrochloric Acid SCHEMBL9453649 0.75 POLB (0.61) KMT2ACYP2D6CYP2C19POLBCYP2C9

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-3978612-A1 METHOD FOR QUANTITATIVE CO-EXPRESSING MULTIPLE PROTEINS IN VITRO AND APPLICATION THEREOF Kangma-Healthcode (Shanghai) Biotech Co., Ltd (CN) 2022-04-06 — — EP disclosed
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