SCHEMBL11436689

SCHEMBL11436689

ClC(Cl)=Cc1ccc2[nH]cnc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ PRKCI P41743 1/20 0.37
▸ RAD52 P43351 1/20 0.36
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ MMP12 P39900 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ QPCT Q16769 1/20 0.33

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
SCHEMBL14051691 0.83 HDAC1 (0.39) HDAC1MAPTKDM4EALDH1A1TDP1
SCHEMBL2606218 0.78 HDAC1 (0.39) HDAC1MAPTKDM4EALDH1A1TDP1
SCHEMBL29505633 0.77 CYP2A6 (0.47) HDAC1MAPTKDM4EALDH1A1TDP1
SCHEMBL4588444 0.77 MAPT (0.42) HDAC1MAPTKDM4EALDH1A1TDP1
SCHEMBL10465738 0.77 MAPT (0.42) HDAC1MAPTKDM4EALDH1A1TDP1
SCHEMBL4236815 0.77 MAPT (0.42) HDAC1MAPTKDM4EALDH1A1TDP1
SCHEMBL1160196 0.77 CYP2A6 (0.47) HDAC1MAPTKDM4EALDH1A1TDP1
SCHEMBL2653187 0.76 KDM4E (0.41) HDAC1MAPTKDM4EALDH1A1TDP1
SCHEMBL2653189 0.76 KDM4E (0.41) HDAC1MAPTKDM4EALDH1A1TDP1
SCHEMBL2603490 0.74 EGFR (0.52) HDAC1MAPTKDM4EALDH1A1TDP1

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
EP-0009361-A1 2-Alkoxycarbonylamino benzimidazoles having a halogen-containing substituent, their preparation and their use as parasiticides MERCK & CO. INC. (US) 1980-04-02 — — EP claimed
Send feedback