SCHEMBL9314844

SCHEMBL9314844

N#Cc1ccc(C(=O)N2CCc3[nH]c4c(cnc5cc(Cl)ccc54)c3C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.42
BAZ2B Q9UIF8 2/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
STAT3 P40763 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FASN P49327 11/20 0.40
SCN5A Q14524 2/20 0.39
SCN9A Q15858 2/20 0.39
MAPK7 Q13164 1/20 0.39
CTSK P43235 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL9316061 0.88 BAZ2B (0.45) CFTRBAZ2BMEN1MAPTMAPK1
SCHEMBL9315614 0.88 PTGDR2 (0.48) CFTRBAZ2BMEN1MAPTMAPK1
SCHEMBL9315615 0.88 PTGDR2 (0.48) CFTRBAZ2BMEN1MAPTMAPK1
SCHEMBL9315594 0.82 PARP1 (0.36) MEN1MAPTKMT2A
SCHEMBL10139841 0.81 CFTR (0.49) CFTRBAZ2BMEN1MAPTMAPK1
Hydrochloric Acid SCHEMBL409052 0.80 CFTR (0.51) CFTRBAZ2BMEN1MAPTMAPK1
SCHEMBL9315622 0.79 SMN1; SMN2 (0.53) BAZ2BMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL9314894 0.79 BAZ2B (0.42) CFTRBAZ2BMEN1MAPTMAPK1
SCHEMBL9314846 0.77 BAZ2B (0.46) CFTRBAZ2BMEN1MAPTMAPK1
SCHEMBL9314934 0.77 HRH4 (0.41) CFTRBAZ2BMEN1MAPTMAPK1

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
US-5281608-A Antiinflammatory agents and interleukin II antagonist AMERICAN HOME PRODUCTS CORPORATION (US) 1994-01-25 US claimed
US-5281608-A Antiinflammatory agents and interleukin II antagonist AMERICAN HOME PRODUCTS CORPORATION (US) 1994-01-25 US disclosed