SCHEMBL6594872

SCHEMBL6594872

O=C(Nc1ccc(Br)cc1)c1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 3/20 0.58
ALDH1A1 P00352 3/20 0.56
KMT2A Q03164 5/20 0.56
MEN1 O00255 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
RAB9A P51151 1/20 0.52
MAPT P10636 4/20 0.52
KDM1A O60341 1/20 0.50
RCOR1 Q9UKL0 1/20 0.50
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL6591721 0.92 P2RX1 (0.64) P2RX1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL27782904 0.86 KDM1A (0.64) P2RX1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL27194529 0.85 MEN1 (0.55) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL6591068 0.84 MEN1 (0.55) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL491122 0.83 KMT2A (0.57) P2RX1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL14345113 0.83 P2RX1 (0.55) P2RX1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL17350395 0.82 P2RX1 (0.60) P2RX1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL492308 0.81 KMT2A (0.56) P2RX1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL491924 0.81 KMT2A (0.63) P2RX1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL6590143 0.81 MAPT (0.65) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1

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
EP-1040108-B1 ORTHO-ANTHRANILAMIDE DERIVATIVES AS ANTI-COAGULANTS SCHERING AG (DE) 2004-02-25 EP disclosed
US-6498185-B1 ENZYME FACTOR XA INHIBITORS BERLEX LABORATORIES, INC. 2002-12-24 US disclosed
US-6380221-B1 FOR THERAPY OF DISEASE-STATES CHARACTERIZED BY THROMBOTIC ACTIVITY BERLEX LABORATORIES, INC. 2002-04-30 US disclosed
US-6140351-A FOR TREATING THROMBOSIS BERLEX LABORATORIES, INC. (US) 2000-10-31 US disclosed