SCHEMBL7590429

SCHEMBL7590429

N=C(N)N(Cl)c1cncc2cc(S(=O)(=O)NC3CCC(C(=O)O)CC3)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
PLAU P00749 1/20 0.39
BRAF P15056 1/20 0.36
PIK3CD O00329 4/20 0.36
PIK3CA P42336 3/20 0.36
PIK3CB P42338 3/20 0.36
PIK3CG P48736 3/20 0.36
PIK3R2 O00459 1/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3R3 Q92569 1/20 0.36
PIK3C3 Q8NEB9 3/20 0.35
MTOR P42345 2/20 0.35
KMT2A Q03164 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL7373053 1.00 ALDH1A1 (0.45) ALDH1A1PLAUBRAFPIK3CDPIK3CA
SCHEMBL6433528 1.00 ALDH1A1 (0.45) ALDH1A1PLAUBRAFPIK3CDPIK3CA
Hydrochloric Acid SCHEMBL6433791 0.99 ALDH1A1 (0.44) ALDH1A1PLAUBRAFPIK3CDPIK3CA
Hydrochloric Acid SCHEMBL6434299 0.99 ALDH1A1 (0.44) ALDH1A1PLAUBRAFPIK3CDPIK3CA
SCHEMBL7371245 0.87 SMN1; SMN2 (0.39) ALDH1A1PLAUPIK3CDPIK3CAPIK3CB
SCHEMBL7370512 0.87 PLAU (0.35) ALDH1A1PLAUBRAFPIK3CDPIK3CA
SCHEMBL6435150 0.84 ADAM17 (0.37) ALDH1A1PLAUTDP1LMNA
SCHEMBL7378281 0.84 ADAM17 (0.37) ALDH1A1PLAUTDP1LMNA
SCHEMBL6434675 0.84 ADAM17 (0.37) ALDH1A1PLAUTDP1LMNA
Hydrochloric Acid SCHEMBL6433470 0.83 ADAM17 (0.36) ALDH1A1PLAUTDP1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242120-A2 COMBINATIONS OF GROWTH FACTORS AND I:UPA OR I:MMP FOR THE TREATMENT OF DAMAGED TISSUE Pfizer Limited (GB) 2002-09-25 EP disclosed
WO-2001049309-A2 COMBINATIONS OF GROWTH FACTORS AND I: UPA OR I: MMP FOR THE TREATMENT OF DAMAGED TISSUE PFIZER LIMITED (GB) 2001-07-12 WO disclosed