SCHEMBL10439645

SCHEMBL10439645

Clc1cccc(Cl)c1Nc1cccc(CBr)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 2/20 0.42
▸ TOP2A P11388 1/20 0.39
▸ TOP2B Q02880 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.35
▸ TRPA1 O75762 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SIGMAR1 Q99720 2/20 0.35
▸ APP P05067 1/20 0.35
▸ NR4A2 P43354 1/20 0.35
▸ ADRA1A P35348 2/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ ADRA1D P25100 1/20 0.35
▸ ADRA1B P35368 1/20 0.35
▸ CAMK2A Q9UQM7 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ POLB P06746 1/20 0.34

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
SCHEMBL10439857 0.82 TOP2A (0.56) RAPGEF4TOP2ATOP2BALDH1A1SIGMAR1
SCHEMBL10439650 0.79 RAPGEF4 (0.41) RAPGEF4TOP2ATOP2BALDH1A1TRPA1
SCHEMBL10879892 0.79 MAPT (0.42) ALDH1A1TSHRSIGMAR1APPNR4A2
SCHEMBL10439648 0.78 RAPGEF4 (0.40) RAPGEF4TOP2ATOP2BALDH1A1TRPA1
SCHEMBL10439609 0.78 NPC1 (0.43) RAPGEF4TOP2ATOP2BMEN1KMT2A
SCHEMBL4151489 0.77 ALDH1A1 (0.60) RAPGEF4TOP2ATOP2BALDH1A1TRPA1
SCHEMBL1425327 0.77 PTGS2 (0.54) TRPA1ADRA1ACAMK2AAKR1B10UGT1A9
SCHEMBL10878908 0.73 MEN1 (0.43) RAPGEF4ALDH1A1TRPA1TSHRAPP
SCHEMBL10875466 0.73 NPSR1 (0.60) RAPGEF4ALDH1A1MAPTPOLB
SCHEMBL29015003 0.72 ALDH1A1 (0.44) RAPGEF4TOP2ATOP2BALDH1A1TRPA1

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
EP-0377896-A2 Cyclooxygenase and 5-lipoxygenase inhibiting hydroxamic acid derivatives CIBA-GEIGY AG (CH) 1990-07-18 — — EP disclosed
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