SCHEMBL282356

SCHEMBL282356

CCc1c(N)cccc1C(=O)F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.43
HSD17B10 Q99714 6/20 0.43
MMP2 P08253 1/20 0.40
KDM4E B2RXH2 7/20 0.39
CFTR P13569 1/20 0.39
POLB P06746 1/20 0.37
HPGD P15428 4/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
CDC25B P30305 2/20 0.35
LMNA P02545 1/20 0.35
PARP1 P09874 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NSD2 O96028 1/20 0.34
ESRRA P11474 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL1673477 0.85 ALDH1A1 (0.46) ALDH1A1HSD17B10MMP2KDM4ECFTR
SCHEMBL3806401 0.83 ALDH1A1 (0.44) ALDH1A1HSD17B10MMP2KDM4ECFTR
SCHEMBL3622851 0.83 PARP1 (0.46) ALDH1A1HSD17B10MMP2KDM4ECFTR
SCHEMBL1126873 0.83 MMP2 (0.55) ALDH1A1HSD17B10MMP2KDM4ECFTR
Hydrochloric Acid SCHEMBL28057982 0.81 PARP1 (0.45) ALDH1A1HSD17B10MMP2KDM4ECFTR
SCHEMBL5929896 0.79 ALDH1A1 (0.62) ALDH1A1HSD17B10KDM4ECFTRPOLB
SCHEMBL18426584 0.79 ALDH1A1 (0.41) ALDH1A1HSD17B10MMP2KDM4ECFTR
SCHEMBL2001242 0.77 ALDH1A1 (0.44) ALDH1A1HSD17B10MMP2KDM4ECFTR
SCHEMBL6001659 0.77 ALDH1A1 (0.70) ALDH1A1HSD17B10KDM4EPOLBHPGD
Fluorobenzene SCHEMBL28203068 0.77 ALDH1A1 (0.41) ALDH1A1HSD17B10MMP2KDM4ECFTR

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-20120065092-A1 FUSION ANALYTE CYTOMETRIC BEAD ASSAY, AND SYSTEMS AND KITS FOR PERFORMING THE SAME BECTON, DICKINSON AND COMPANY 2012-03-15 US disclosed
EP-2428798-A1 Fusion analyte cytometric bead assay, and systems and kits for performing the same Becton, Dickinson and Company (US) 2012-03-14 EP disclosed