SCHEMBL7516613

SCHEMBL7516613

CC(=O)Nc1ccc(NC(=O)c2cc(Br)ccc2N)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.64
MAPT P10636 6/20 0.52
RAB9A P51151 3/20 0.52
POLB P06746 2/20 0.52
KDM4E B2RXH2 1/20 0.51
GLA P06280 1/20 0.51
ALDH1A1 P00352 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
GFER P55789 1/20 0.51
HSD17B10 Q99714 1/20 0.51
KMT2A Q03164 4/20 0.50
PLAU P00749 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
MEN1 O00255 2/20 0.50
LMNA P02545 2/20 0.50
F2 P00734 1/20 0.50
F10 P00742 1/20 0.50
PLAT P00750 1/20 0.50
EGFR P00533 1/20 0.50

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
SCHEMBL5925259 0.91 MAPT (0.59) HDAC1MAPTRAB9APOLBKDM4E
SCHEMBL5925289 0.85 KDM4E (0.51) HDAC1MAPTRAB9APOLBKDM4E
SCHEMBL10289025 0.84 POLB (0.61) MAPTRAB9APOLBKDM4EGLA
SCHEMBL7516604 0.84 PLAU (0.52) HDAC1MAPTRAB9APOLBKDM4E
SCHEMBL6592828 0.82 MAPT (0.61) MAPTRAB9AALDH1A1SMN1; SMN2GFER
SCHEMBL9954063 0.82 JAK2 (0.54) RAB9AKDM4EGLAALDH1A1SMN1; SMN2
SCHEMBL27194309 0.80 KMT2A (0.55) HDAC1MAPTRAB9AKDM4EGLA
SCHEMBL14345245 0.79 PLAU (0.44) HDAC1MAPTRAB9APOLBKDM4E
SCHEMBL6593023 0.79 FADS1 (0.67) HDAC1MAPTRAB9APOLBALDH1A1
SCHEMBL15551746 0.78 HDAC1 (1.00) HDAC1MAPTRAB9APOLBKDM4E

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
WO-2001021160-B1 CARBOXYMIDE AND ANILINE DERIVATIVES AS SELECTIVE INHIBITORS OF PATHOGENS AXXIMA PHARMACEUTICALS AG (DE) 2002-05-30 WO claimed