SCHEMBL8601357

SCHEMBL8601357

CCCc1nc2ccc([N+](=O)[O-])cc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 1.00
MAPT P10636 5/20 0.79
ALDH1A1 P00352 5/20 0.79
KCNJ1 P48048 2/20 0.79
LMNA P02545 2/20 0.79
PKM P14618 2/20 0.71
NPBWR1 P48145 4/20 0.65
RIPK1 Q13546 4/20 0.64
HPGD P15428 3/20 0.64
CCNT1 O60563 1/20 0.60
CDK9 P50750 1/20 0.60
TDP1 Q9NUW8 2/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
HTT P42858 2/20 0.56
MMP2 P08253 1/20 0.56
MMP9 P14780 1/20 0.56
MMP8 P22894 1/20 0.56

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
SCHEMBL7608611 0.92 KDM4E (0.85) KDM4EMAPTALDH1A1KCNJ1LMNA
SCHEMBL1250581 0.91 KDM4E (0.82) KDM4EMAPTALDH1A1KCNJ1LMNA
SCHEMBL9721028 0.89 KDM4E (0.81) KDM4EMAPTALDH1A1KCNJ1LMNA
SCHEMBL9720952 0.89 KDM4E (0.81) KDM4EMAPTALDH1A1KCNJ1LMNA
SCHEMBL783687 0.89 KDM4E (0.81) KDM4EMAPTALDH1A1KCNJ1LMNA
SCHEMBL8601352 0.89 KDM4E (0.80) KDM4EMAPTALDH1A1KCNJ1LMNA
SCHEMBL6753969 0.88 KDM4E (0.79) KDM4EMAPTALDH1A1KCNJ1LMNA
SCHEMBL9642133 0.88 MAPT (1.00) KDM4EMAPTALDH1A1KCNJ1LMNA
SCHEMBL7033535 0.87 MAPT (0.91) KDM4EMAPTALDH1A1KCNJ1LMNA
SCHEMBL18459774 0.84 MAPT (0.76) KDM4EMAPTALDH1A1KCNJ1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5763473-A Use of 2-substituted benzimidazole as smooth muscle cell proliferation inhibitors AMERICAN HOME PROCUCTS CORPORATION (US) 1998-06-09 US disclosed
US-5654436-A INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 1997-08-05 US disclosed