SCHEMBL9136161

SCHEMBL9136161

O=C(O)CN(CCN(CC(=O)O)C(Cc1ccc([N+](=O)[O-])cc1)C(=O)O)CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.49
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
ANPEP P15144 1/20 0.39
ERAP2 Q6P179 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
CYP2C19 P33261 2/20 0.38
CA2 P00918 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MC4R P32245 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
MAOB P27338 1/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 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
SCHEMBL9010658 0.89 KCNH2 (0.52) KCNH2CA2
SCHEMBL7598191 0.83 SLC7A5 (0.44) LMNACYP2C19CA2TSHR
SCHEMBL29588115 0.83 CYP1A2 (0.43) LMNACYP2C19CA2ALDH1A1CYP1A2
SCHEMBL7596061 0.83 CYP1A2 (0.43) LMNACYP2C19CA2ALDH1A1CYP1A2
SCHEMBL10494760 0.82 KCNH2 (0.49) KCNH2MEN1KMT2ALMNACYP2C19
SCHEMBL9435308 0.82 TDP1 (0.39) LMNACYP2C19CA2TSHR
SCHEMBL5252487 0.82 TDP1 (0.39) LMNACYP2C19CA2TSHR
SCHEMBL29575593 0.80 TSHR (0.49) KCNH2MEN1KMT2ALMNAANPEP
SCHEMBL7668229 0.80 CYP1A2 (0.43) LMNACYP2C19ALDH1A1CYP1A2TSHR
SCHEMBL6527472 0.78 KCNH2 (0.47) KCNH2MEN1KMT2ALMNACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5455332-A Monoclonal antibody 155h.7; labelled for radioimmunology; tumor imaging agent; cancer marker BIOMIRA, INC. (CA) 1995-10-03 US disclosed
EP-0596011-A1 TRIFUNCTIONAL COMPOUNDS HAVING SPECIFICITY FOR MULTI-DRUG RESISTANT CELLS HYBRITECH INCORPORATED (US) 1994-05-11 EP disclosed
WO-1993002105-A1 TRIFUNCTIONAL COMPOUNDS HAVING SPECIFICITY FOR MULTI-DRUG RESISTANT CELLS HYBRITECH INCORPORATED (US) 1993-02-04 WO disclosed
US-4678667-A DIAGNOSIS AND THERAPY OF TUMORS 501 Regents of the University of California (US) 1987-07-07 US disclosed