SCHEMBL5574678

SCHEMBL5574678

NC(=Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.65
▸ KMT2A Q03164 5/20 0.65
▸ TDP1 Q9NUW8 1/20 0.57
▸ PLAU P00749 1/20 0.53
▸ SRD5A2 P31213 1/20 0.53
▸ NOS1 P29475 4/20 0.51
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ NOS3 P29474 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ MITF O75030 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ PAX8 Q06710 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ HGFAC Q04756 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ P4HTM Q9NXG6 1/20 0.48

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
SCHEMBL16470336 0.90 PLAU (0.64) MEN1KMT2ATDP1PLAUNOS1
Hydrochloric Acid SCHEMBL15527609 0.89 NOS1 (0.63) MEN1KMT2ATDP1PLAUNOS1
SCHEMBL4104665 0.81 SIGMAR1 (0.71) KMT2ATDP1NOS1LMNASIGMAR1
SCHEMBL7881307 0.79 MEN1 (1.00) MEN1KMT2ATDP1SRD5A2NPC1
SCHEMBL7881346 0.78 KMT2A (0.79) MEN1KMT2ATDP1SRD5A2NPC1
SCHEMBL6855014 0.78 KMT2A (0.79) MEN1KMT2ATDP1SRD5A2NPC1
SCHEMBL7696438 0.78 KMT2A (0.79) MEN1KMT2ATDP1SRD5A2NPC1
4-Nitrobenzoic Acid SCHEMBL27900174 0.77 TDP1 (0.88) MEN1KMT2ATDP1SRD5A2POLB
SCHEMBL8660017 0.76 TDP1 (0.78) MEN1KMT2ATDP1SRD5A2NPC1
SCHEMBL7798421 0.76 TDP1 (0.78) MEN1KMT2ATDP1SRD5A2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7071004-B1 14094, a novel human trypsin family member and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-07-04 — — US claimed
US-20070009433-A1 14094, a novel human trypsin family member and uses thereof MILLENNIUM PHARMACEUTICALS, INC. 2007-01-11 — — US disclosed
US-7071004-B1 14094, a novel human trypsin family member and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-07-04 — — US disclosed
US-20060142187-A1 Methods for modulating cell-to-cell adhesion using an agonist of C1INH-type protein activity CBR INSTITUTE FOR BIOMEDICAL RESEARCH, INC. (US) 2006-06-29 — — US disclosed
WO-2004110356-A2 METHODS FOR MODULATING CELL-TO-CELL ADHESION USING AN AGONIST OF C1INH-TYPE PROTEIN ACTIVITY CBR INSTITUTE FOR BIOMEDICAL RESEARCH, INC. (US) 2004-12-23 — — WO disclosed
WO-1998055130-A1 EXOSITE ASSAY FOR ANTICOAGULANTS EMORY UNIVERSITY (US) 1998-12-10 — — WO disclosed
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