SCHEMBL9300182

SCHEMBL9300182

Cc1cccc(NC/C=C/[C@@H](O)CN)c1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.54
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 1/20 0.38
HPGD P15428 6/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 5/20 0.35
MAPT P10636 4/20 0.35
MEN1 O00255 3/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL9299952 0.81 KCNMA1 (0.41) KAT2BTDP1TSHRKMT2AMAPT
SCHEMBL9387736 0.78 KAT2B (0.52) KAT2BALDH1A1TDP1TSHRHPGD
SCHEMBL16831368 0.75 KAT2B (0.58) KAT2BALDH1A1TDP1TSHRHPGD
SCHEMBL9301043 0.74 KAT2B (0.35) KAT2BALDH1A1TDP1TSHRKMT2A
SCHEMBL9300400 0.72 NPSR1 (0.43) KAT2BTDP1KMT2AMAPTMEN1
SCHEMBL16831412 0.72 KAT2B (0.64) KAT2BALDH1A1TDP1TSHRHPGD
SCHEMBL29901090 0.71 KAT2B (0.60) KAT2BALDH1A1TDP1TSHRHPGD
SCHEMBL9299967 0.71 MAPT (0.46) KAT2BALDH1A1TDP1TSHRKMT2A
SCHEMBL9300395 0.71 ATM (0.39) KAT2BALDH1A1TDP1KMT2AMAPT
SCHEMBL27940262 0.71 ALDH1A1 (0.64) KAT2BALDH1A1TDP1TSHRHPGD

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
US-5362747-A Promoters, inhibitors ABBOTT LABORATORIES (US) 1994-11-08 US disclosed
WO-1994012163-A1 2-NITROARYL AND 2-CYANOARYL COMPOUNDS AS REGULATORS OF NITRIC OXIDE SYNTHASE ABBOTT LABORATORIES (US) 1994-06-09 WO disclosed