SCHEMBL8657124

SCHEMBL8657124

COc1ccc(C(F)(F)F)cc1-n1c(=O)[nH]c2cc(C(F)(F)F)ccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.67
MAPT P10636 2/20 0.67
CYP2C9 P11712 2/20 0.67
KMT2A Q03164 2/20 0.67
MEN1 O00255 1/20 0.67
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
TSHR P16473 1/20 0.67
NFKB1 P19838 1/20 0.67
CYP2C19 P33261 1/20 0.67
BLM P54132 1/20 0.67
PMP22 Q01453 1/20 0.67
KCNMA1 Q12791 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
CACNA1D Q01668 1/20 0.46
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
HIF1A Q16665 1/20 0.44
BCAT2 O15382 2/20 0.43
BCAT1 P54687 2/20 0.43

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
SCHEMBL9120300 0.92 CYP2C9 (0.57) HSP90AA1MAPTCYP2C9KMT2AMEN1
SCHEMBL9117209 0.90 HSP90AA1 (0.60) HSP90AA1MAPTCYP2C9KMT2AMEN1
SCHEMBL9118627 0.89 HSP90AA1 (0.54) HSP90AA1MAPTCYP2C9KMT2AMEN1
SCHEMBL4130427 0.86 HSP90AA1 (0.56) HSP90AA1MAPTCYP2C9KMT2AMEN1
SCHEMBL8660731 0.85 ALDH1A1 (0.53) HSP90AA1MAPTCYP2C9KMT2AMEN1
SCHEMBL2820871 0.80 HSP90AA1 (1.00) HSP90AA1MAPTCYP2C9KMT2AMEN1
SCHEMBL29630342 0.80 HSP90AA1 (1.00) HSP90AA1MAPTCYP2C9KMT2AMEN1
SCHEMBL29598579 0.80 HSP90AA1 (1.00) HSP90AA1MAPTCYP2C9KMT2AMEN1
SCHEMBL5632612 0.77 MEN1 (0.56) HSP90AA1KMT2AMEN1CA12CA9
SCHEMBL9119253 0.77 ALDH1A1 (0.48) HSP90AA1MAPTCYP2C9KMT2AMEN1

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-0617023-B1 Benzimidazole derivatives, their preparation and use NEUROSEARCH AS (DK) 1998-10-21 EP disclosed
US-5475015-A Benzimidazole derivatives, their preparation and pharmaceutical use NEUROSEARCH A/S (DK) 1995-12-12 US disclosed
EP-0617023-A1 Benzimidazole derivatives, their preparation and use NEUROSEARCH A/S (DK) 1994-09-28 EP disclosed