SCHEMBL4103993

SCHEMBL4103993

O=C(O[N+](=O)[O-])c1ccccc1[N+](=O)[O-].[BaH2]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
CTSD P07339 1/20 0.53
KMT2A Q03164 1/20 0.52
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
GAA P10253 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 2/20 0.48
KCNMA1 Q12791 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
GPR35 Q9HC97 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL1133328 0.98 ALDH1A1 (0.58) ALDH1A1CTSDKMT2ANPC1RAB9A
SCHEMBL4102820 0.96 ALDH1A1 (0.56) ALDH1A1CTSDKMT2ANPC1RAB9A
SCHEMBL4099546 0.96 ALDH1A1 (0.56) ALDH1A1CTSDKMT2ANPC1RAB9A
SCHEMBL4099229 0.96 ALDH1A1 (0.56) ALDH1A1CTSDKMT2ANPC1RAB9A
SCHEMBL2865396 0.85 TSHR (0.43) ALDH1A1CTSDKMT2ANPC1RAB9A
SCHEMBL6551442 0.83 ALDH1A1 (0.61) ALDH1A1CTSDKMT2ANPC1RAB9A
SCHEMBL2289848 0.83 ALDH1A1 (0.61) ALDH1A1CTSDKMT2ANPC1RAB9A
SCHEMBL827585 0.81 ALDH1A1 (0.59) ALDH1A1CTSDKMT2ANPC1RAB9A
SCHEMBL23037576 0.80 ALDH1A1 (0.58) ALDH1A1CTSDKMT2ANPC1RAB9A
SCHEMBL6968113 0.80 ALDH1A1 (0.58) ALDH1A1CTSDKMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090120545-A1 Infra-Red Decoy Flare NEDERLANDSE ORGANISATIE VOOR TOEGEPAST- NATUURWETEN-SCHAPPELIJK ONDERZOEK TNO (NL) 2009-05-14 US disclosed
EP-1904421-A2 AN INFRA-RED DECOY FLARE Nederlandse Organisatie voor toegepast-natuurwetenschappelijk onderzoek TNO (NL) 2008-04-02 EP disclosed
WO-2007004871-A2 AN INFRA-RED DECOY FLARE NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2007-01-11 WO disclosed