SCHEMBL9056650

SCHEMBL9056650

O=[N+]([O-])c1ccccc1N=Nc1cc(-c2cnc(-c3ccc(O)c(N=Nc4ccccc4[N+](=O)[O-])c3)cn2)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 4/20 0.43
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
CCNT1 O60563 1/20 0.41
CCNB2 O95067 1/20 0.41
CCNE2 O96020 1/20 0.41
CDK1 P06493 1/20 0.41
CDK4 P11802 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNA2 P20248 1/20 0.41
CCND1 P24385 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CDK7 P50613 1/20 0.41
CDK9 P50750 1/20 0.41
CCNH P51946 1/20 0.41
CCNA1 P78396 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
PLAU P00749 1/20 0.41
MAPT P10636 5/20 0.41

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
SCHEMBL9057725 1.00 PTPN11 (0.43) PTPN11RAB9ANPC1CCNT1CCNB2
SCHEMBL14035302 0.84 MEN1 (0.50) PTPN11RAB9ANPC1CCNT1CCNB2
SCHEMBL9056062 0.77 MAPK1 (0.53) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL24213305 0.77 NPC1 (0.59) PTPN11RAB9ANPC1CCNT1CCNB2
SCHEMBL5838349 0.77 NPC1 (0.59) PTPN11RAB9ANPC1CCNT1CCNB2
SCHEMBL5838346 0.77 NPC1 (0.59) PTPN11RAB9ANPC1CCNT1CCNB2
SCHEMBL5184493 0.77 FTO (0.56) PTPN11RAB9ANPC1PLAUMAPT
SCHEMBL11612113 0.77 L3MBTL1 (0.56) PTPN11RAB9ANPC1CCNT1CCNB2
SCHEMBL29459575 0.77 FTO (0.56) PTPN11RAB9ANPC1PLAUMAPT
SCHEMBL11606940 0.77 PTPN11 (0.48) PTPN11RAB9ANPC1CCNT1CCNB2

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
WO-1996012709-A1 SUBSTITUTED BIPHENYL PYRAZINES HOECHST CELANESE CORPORATION (US) 1996-05-02 WO disclosed
US-5464941-A Polymer blends for paints HOECHST CELANESE CORPORATION (US) 1995-11-07 US disclosed
US-5464923-A Polymer blends for paints HOECHST CELANESE CORPORATION (US) 1995-11-07 US disclosed