SCHEMBL7928902

SCHEMBL7928902

O=C(Nc1ccccc1)Nc1cccc(C(=O)O)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 3/20 0.61
KDM4E B2RXH2 6/20 0.60
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
CXCR1 P25024 1/20 0.60
LMNA P02545 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
ALDH1A1 P00352 3/20 0.59
MAPT P10636 3/20 0.57
TP53 P04637 1/20 0.57
EPHX1 P07099 1/20 0.57
TSHR P16473 1/20 0.57
EPHX2 P34913 1/20 0.57
CDK9 P50750 1/20 0.57
CLK4 Q9HAZ1 1/20 0.57
GRIK1 P39086 2/20 0.56
CASR P41180 1/20 0.56
HTT P42858 1/20 0.56

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
SCHEMBL31580808 0.86 KDM4E (0.71) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL1462332 0.86 KDM4E (0.71) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL7897521 0.84 CXCR2 (0.61) CXCR2KDM4EMEN1KMT2ANPC1
SCHEMBL5594974 0.84 KMT2A (0.61) CXCR2KDM4EMEN1KMT2ANPC1
SCHEMBL21753682 0.83 CYP3A4 (0.65) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL6853270 0.81 CXCR2 (0.77) CXCR2KDM4EMEN1KMT2ALMNA
SCHEMBL21753713 0.81 KDM4E (0.57) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL30810149 0.80 ALDH1A1 (0.63) CXCR2KDM4EMEN1KMT2ANPC1
SCHEMBL4348999 0.80 KMT2A (0.70) CXCR2KDM4EMEN1KMT2ANPC1
SCHEMBL4354878 0.80 MEN1 (0.73) CXCR2KDM4EMEN1KMT2ANPC1

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-6262113-B1 HYDROXY- OR MERCAPTO-PHENYLUREAS SMITHKLINE BEECHAM CORPORATION 2001-07-17 US disclosed
US-6211373-B1 Phenyl urea antagonists of the IL-8 receptor SMITHKLINE BEECHAM CORPORATION 2001-04-03 US disclosed
US-5780483-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1998-07-14 US disclosed