SCHEMBL9201801

SCHEMBL9201801

CC(O)(O)c1ccc(-c2cc(Cl)ccn2)cc1C(C)(O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMO O15229 5/20 0.37
PGR P06401 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
MAP4K4 O95819 1/20 0.35
CASR P41180 2/20 0.35
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
PIK3CG P48736 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
PIM1 P11309 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL31312595 0.73 KIF11 (0.46) MAPTKMT2APTGS1PTGS2MAP4K4
SCHEMBL15263671 0.73 KIF11 (0.46) MAPTKMT2APTGS1PTGS2MAP4K4
SCHEMBL9202204 0.71 ALOX5 (0.52) MAPTMEN1KMT2ASMN1; SMN2KMO
SCHEMBL16385239 0.71 TLR8 (0.57) MAPTMEN1KMT2AKMOHSD17B1
SCHEMBL5700322 0.71 PIK3CG (0.50) MAPTMEN1KMT2ASMN1; SMN2PTGS1
SCHEMBL2382865 0.70 PIM1 (0.36) MAPTPTGS1PTGS2MAP4K4HSD17B1
SCHEMBL827247 0.69 CCR1 (0.48) MAPTSMN1; SMN2KMOPTGS1PTGS2
SCHEMBL15947898 0.69 PIM1 (0.57) MAPTSMN1; SMN2KMOMAP4K4PIM1
SCHEMBL24700310 0.68 TGFBR1 (0.42) MAPTMEN1KMT2AMAP4K4PIM1
SCHEMBL29994506 0.68 TGFBR1 (0.42) MAPTMEN1KMT2AMAP4K4PIM1

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-0304155-B1 Cephalosporin compounds, process for their preparation and their pharmaceutical compositions ZENECA PHARMA SA (FR) 1995-11-15 EP disclosed
US-5013730-A Antibiotics ICI-PHARMA (FR) 1991-05-07 US disclosed