SCHEMBL8601352

SCHEMBL8601352

CCCc1nc2cc([N+](=O)[O-])ccc2[nH]1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.80
MAPT P10636 6/20 0.62
ALDH1A1 P00352 5/20 0.62
KCNJ1 P48048 2/20 0.62
LMNA P02545 2/20 0.62
PKM P14618 1/20 0.56
NPBWR1 P48145 2/20 0.52
HPGD P15428 1/20 0.52
RIPK1 Q13546 3/20 0.50
GAA P10253 1/20 0.50
CCNT1 O60563 1/20 0.47
CDK9 P50750 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
KMT2A Q03164 1/20 0.46
THRB P10828 1/20 0.46
NPC1 O15118 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL7608604 0.92 KDM4E (0.67) KDM4EMAPTALDH1A1KCNJ1LMNA
SCHEMBL9720944 0.89 KDM4E (0.64) KDM4EMAPTALDH1A1KCNJ1LMNA
SCHEMBL783686 0.89 KDM4E (0.64) KDM4EMAPTALDH1A1KCNJ1LMNA
SCHEMBL9721024 0.89 KDM4E (0.64) KDM4EMAPTALDH1A1KCNJ1LMNA
SCHEMBL8601357 0.89 KDM4E (1.00) KDM4EMAPTALDH1A1KCNJ1LMNA
SCHEMBL9642123 0.88 MAPT (0.78) KDM4EMAPTALDH1A1KCNJ1LMNA
SCHEMBL6753972 0.88 GAA (0.64) KDM4EMAPTALDH1A1KCNJ1LMNA
SCHEMBL7033532 0.87 MAPT (0.72) KDM4EMAPTALDH1A1KCNJ1LMNA
SCHEMBL7867650 0.86 PKM (0.67) KDM4EMAPTALDH1A1KCNJ1LMNA
SCHEMBL522319 0.82 MAPT (0.57) 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