SCHEMBL7185539

SCHEMBL7185539

Nc1cc(Cl)ccc1NC1CCC(O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.43
ADORA1 P30542 1/20 0.41
ALOX15 P16050 4/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
TP53 P04637 2/20 0.40
MDM2 Q00987 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT5B Q4FZB7 1/20 0.38
KMT5C Q86Y97 1/20 0.38
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PIM1 P11309 1/20 0.38

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
SCHEMBL7185544 1.00 HSP90AA1 (0.43) HSP90AA1ADORA1ALOX15KDM4EGAA
SCHEMBL2731890 0.92 KDM4E (0.46) ALOX15KDM4EGAAMAPTTP53
SCHEMBL29860401 0.92 KDM4E (0.46) ALOX15KDM4EGAAMAPTTP53
SCHEMBL3792292 0.83 KDM4E (0.59) ALOX15KDM4EGAAMAPTALDH1A1
SCHEMBL7794045 0.83 RAB9A (0.48) HSP90AA1ADORA1MAPTALDH1A1SMN1; SMN2
SCHEMBL20096321 0.81 AAK1 (0.46) HSP90AA1ALOX15KDM4EGAAMAPT
SCHEMBL13500619 0.81 HSP90AA1 (0.43) HSP90AA1ALOX15KDM4EGAAMAPT
SCHEMBL22725031 0.81 IKBKB (0.42) ALOX15KDM4EGAAMAPTTP53
SCHEMBL21293969 0.81 AAK1 (0.46) HSP90AA1ALOX15KDM4EGAAMAPT
SCHEMBL17675692 0.81 MAPK1 (0.45) ALOX15KDM4EGAAMAPTTP53

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
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
EP-1196391-A1 BENZIMIDAZOLONE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-17 EP disclosed
WO-2001005770-A1 BENZIMIDAZOLONE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-25 WO disclosed