SCHEMBL11440971

SCHEMBL11440971

O=P(O)(Oc1ccccc1CBr)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
CA5A P35218 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CFTR P13569 1/20 0.40
ALDH1A1 P00352 5/20 0.40
POLB P06746 1/20 0.40
USP2 O75604 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
PDE3A Q14432 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL779559 0.85 L3MBTL1 (0.46) CA2CA4CA5ACA12CA1
SCHEMBL27769863 0.83 CA2 (0.45) CA2CA4CA5ACA12CA1
SCHEMBL10432957 0.82 INPPL1 (0.52) ALDH1A1POLBUSP2KDM4EHPGD
SCHEMBL779487 0.80 KDM4E (0.44) CA2CA4CA5ACA12CA1
SCHEMBL11447145 0.79 SMN1; SMN2 (0.39) HTTL3MBTL1ALDH1A1POLBUSP2
SCHEMBL10432956 0.78 LMNA (0.38) HTTL3MBTL1ALDH1A1USP2KDM4E
SCHEMBL4455464 0.76 HTT (0.42) CA2CA4CA5ACA12CA1
SCHEMBL27537851 0.75 L3MBTL1 (0.39) HTTL3MBTL1HPGDMEN1KMT2A
SCHEMBL3896654 0.74 LMNA (0.43) HTTL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL8046680 0.74 CXCL8 (0.52) L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4219510-A POSTEMERGENCE AND PREEMERGENCE HERBICIDES MONSANTO COMPANY (US) 1980-08-26 US disclosed