SCHEMBL3929262

SCHEMBL3929262

O=C(O)N1CCN(c2cc3[nH]c(-c4nn(C5CCCCO5)cc4[N+](=O)[O-])nc3cc2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
ALDH1A1 P00352 2/20 0.36
GPR174 Q9BXC1 11/20 0.36
POLB P06746 1/20 0.35
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ABL1 P00519 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 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
SCHEMBL3926150 0.90 MAPT (0.41) MAPTALDH1A1HTTSMN1; SMN2NPSR1
SCHEMBL4134812 0.90 MAPT (0.38) MAPTALDH1A1GPR174POLBSMN1; SMN2
SCHEMBL3926427 0.88 MAPT (0.42) MAPTALDH1A1GPR174HTTSMN1; SMN2
SCHEMBL4125135 0.88 MAPT (0.42) MAPTALDH1A1HTTSMN1; SMN2NPSR1
SCHEMBL13375334 0.81 ABL1 (0.34) ABL1
SCHEMBL13373566 0.79 SYK (0.35) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL5952646 0.78 ABL1 (0.33) ABL1
SCHEMBL3935200 0.78 CHEK2 (0.37) MAPTALDH1A1POLBHTTLMNA
SCHEMBL4124822 0.78 CSF1R (0.36) ALDH1A1ABL1
SCHEMBL3928879 0.78 ATR (0.40) ALDH1A1ABL1

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
EP-2041119-B1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA SA (FR) 2017-05-10 EP disclosed
EP-2041119-A1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF Aventis Pharma S.A. (FR) 2009-04-01 EP disclosed
WO-2008003857-A1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2008-01-10 WO disclosed