SCHEMBL9667288

SCHEMBL9667288

O=C(O)CN(Cc1ccccc1)C(C(=O)O)[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
CPA1 P15085 6/20 0.42
ALDH1A1 P00352 4/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 2/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL10531448 0.87 DAGLA (0.40) ALDH1A1MEN1KMT2A
SCHEMBL29223593 0.80 LMNA (0.33) CPA1LMNAMEN1KMT2ATSHR
SCHEMBL10531896 0.79 LMNA (0.49) ALDH1A1LMNASMN1; SMN2CYP1A2
SCHEMBL6341385 0.78 ALDH1A1 (0.46) CRHBPCRHR2CPA1ALDH1A1LMNA
SCHEMBL9268412 0.77 CRHBP (0.43) CRHBPCRHR2CPA1ALDH1A1LMNA
SCHEMBL29871382 0.76 KMT2A (0.45) CPA1ALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL5097300 0.76 CYP1A2 (0.41) CPA1ALDH1A1LMNAMEN1KMT2A
SCHEMBL9705115 0.74 ALPI (0.46) CPA1ALDH1A1LMNAMEN1KMT2A
SCHEMBL12869897 0.74 MEN1 (0.54) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL9272378 0.72 ESR1 (0.43) CRHBPCRHR2CPA1ALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992013965-A1 METHOD OF IMMOBILIZING AND CROSSLINKING PROTEINS AND OTHER MOLECULES AND USES THEREOF ANDERSON LESLIE DERIEMER (US) 1992-08-20 WO disclosed
EP-0497585-A2 Method of immobilizing and crosslinking proteins and other molecules and uses thereof Anderson, Leslie Deriemer (US) 1992-08-05 EP disclosed