SCHEMBL9119844

SCHEMBL9119844

Oc1ccccc1-n1c(=S)[nH]c2cc(C(F)(F)F)ccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
HSP90AA1 P07900 2/20 0.57
MAPT P10636 2/20 0.57
KCNMA1 Q12791 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
TSHR P16473 1/20 0.57
NFKB1 P19838 1/20 0.57
CYP2C19 P33261 1/20 0.57
BLM P54132 1/20 0.57
PMP22 Q01453 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
ALDH1A1 P00352 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
KIF11 P52732 3/20 0.42
KDM4E B2RXH2 4/20 0.40
BRD4 O60885 1/20 0.40
POLB P06746 2/20 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
SCHEMBL8654682 0.89 HSP90AA1 (0.71) KMT2AMEN1HSP90AA1MAPTKCNMA1
SCHEMBL9119790 0.86 KMT2A (0.54) KMT2AMEN1HSP90AA1MAPTKCNMA1
SCHEMBL9118693 0.84 HSP90AA1 (0.81) KMT2AMEN1HSP90AA1MAPTKCNMA1
SCHEMBL9119962 0.84 CYP2C9 (0.60) KMT2AMEN1HSP90AA1MAPTKCNMA1
SCHEMBL8660731 0.75 ALDH1A1 (0.53) KMT2AMEN1HSP90AA1MAPTKCNMA1
SCHEMBL2820871 0.73 HSP90AA1 (1.00) KMT2AMEN1HSP90AA1MAPTKCNMA1
SCHEMBL29598579 0.73 HSP90AA1 (1.00) KMT2AMEN1HSP90AA1MAPTKCNMA1
SCHEMBL29630342 0.73 HSP90AA1 (1.00) KMT2AMEN1HSP90AA1MAPTKCNMA1
SCHEMBL7770174 0.71 ALDH1A1 (0.70) KMT2AMEN1HSP90AA1MAPTKCNMA1
SCHEMBL31597530 0.71 PDE7A (0.63) KMT2AMEN1MAPTALDH1A1SMN1; SMN2

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-0477819-B1 Benzimidazole derivatives, their preparation and use NEUROSEARCH AS (DK) 1995-03-15 EP disclosed
US-5200422-A Benzimidazole derivatives, their preparation and use NEUROSEARCH A/S (DK) 1993-04-06 US disclosed
EP-0477819-A2 Benzimidazole derivatives, their preparation and use NEUROSEARCH A/S (DK) 1992-04-01 EP disclosed