SCHEMBL7185293

SCHEMBL7185293

Nc1cc(C(F)(F)F)ccc1Nc1ccc2[nH]cnc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
ALDH1A1 P00352 3/20 0.53
GAA P10253 2/20 0.53
KDM4E B2RXH2 2/20 0.53
MEN1 O00255 1/20 0.53
GFER P55789 1/20 0.53
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
EGFR P00533 1/20 0.44
CDK1 P06493 7/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK14 Q16539 1/20 0.41
PARP1 P09874 1/20 0.40
P2RY14 Q15391 1/20 0.39
BRAF P15056 1/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL2546216 0.81 MAPK1 (0.60) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL1265834 0.78 PARP1 (0.60) MAPTALDH1A1KDM4ECDK1PARP1
SCHEMBL31411494 0.78 PARP1 (0.60) MAPTALDH1A1KDM4ECDK1PARP1
SCHEMBL2542670 0.78 KDM4E (0.53) MAPTALDH1A1GAAKDM4ECDK1
Iodide SCHEMBL31411461 0.76 PARP1 (0.58) MAPTALDH1A1KDM4ECDK1PARP1
SCHEMBL11390047 0.76 ALDH1A1 (0.81) MAPTALDH1A1GAAKDM4EMEN1
Hydrochloric Acid SCHEMBL10529934 0.72 ALDH1A1 (0.73) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL4903216 0.72 ADRA2A (0.42) MAPTALDH1A1KDM4ECDK1RAB9A
SCHEMBL11397234 0.71 MAPT (0.71) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL12600384 0.68 MEN1 (0.55) MAPTALDH1A1GAAKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6582351-B1 Benzimidazole heterocyclic compounds having pharmacological activities, and their use as a medicament for treatment or prevention of diseases mediated by cGMP-PDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-24 US disclosed