SCHEMBL11036236

SCHEMBL11036236

COc1cc(F)c(Cl)c(Cl)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 4/20 0.37
▸ HTR2A P28223 5/20 0.37
▸ HTR2C P28335 5/20 0.37
▸ HTR2B P41595 5/20 0.37
▸ GAA P10253 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.34
▸ AMY1A P0DUB6 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ STAT3 P40763 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33
▸ PHGDH O43175 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
SCHEMBL11016445 0.79 TUBB1 (0.40) TUBB1HTR2AHTR2CHTR2BGAA
SCHEMBL1813756 0.79 SCN9A (0.38) TUBB1GAANPC1LMNAMAPK1
SCHEMBL1042771 0.77 TAAR1 (0.44) TUBB1GAALMNAMAPK1TAAR1
SCHEMBL21453063 0.77 HDAC4 (0.37) TUBB1NFE2L2PHGDH
SCHEMBL12804213 0.76 HTR2A (0.47) TUBB1HTR2AHTR2CHTR2BGAA
SCHEMBL24952849 0.76 GAA (0.41) TUBB1HTR2AHTR2CHTR2BGAA
SCHEMBL3155200 0.76 CYP3A4 (0.50) TUBB1HTR2BLMNAMAPK1HTT
SCHEMBL30103861 0.76 GAA (0.41) TUBB1HTR2AHTR2CHTR2BGAA
SCHEMBL20698163 0.76 TUBB1 (0.36) TUBB1HTR2AHTR2CHTR2BGAA
SCHEMBL935576 0.76 ERN1 (0.38) TUBB1GAANPC1HTT

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-0130875-A1 Process for the halogenation-nitration fluorination of aromatic compounds RHONE-POULENC CHIMIE (FR) 1985-01-09 — — EP disclosed
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