SCHEMBL4537404

SCHEMBL4537404

Cc1ccccc1-c1ccccc1C(Br)Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
TSHR P16473 3/20 0.39
ACHE P22303 1/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.36
HTT P42858 2/20 0.36
BRD4 O60885 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTR7 P34969 1/20 0.35
CDC25A P30304 1/20 0.34
CDC25B P30305 1/20 0.34
AURKA O14965 1/20 0.34
AURKB Q96GD4 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
SCHEMBL5712842 0.85 MEN1 (0.40) TSHRNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL29738572 0.85 MEN1 (0.40) TSHRNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1248016 0.80 ESR1 (0.54) ESR1TSHRACHEALDH1A1GAA
SCHEMBL5610691 0.80 ESR1 (0.40) ESR1TSHRACHENPC1RAB9A
SCHEMBL6314140 0.79 DHFR (0.45) ESR1TSHRACHENPC1RAB9A
SCHEMBL7647280 0.77 ESR1 (0.41) ESR1TSHRACHENPC1RAB9A
SCHEMBL30354037 0.77 ACHE (0.64) TSHRACHENPC1RAB9ASMN1; SMN2
SCHEMBL30169568 0.77 ACHE (0.64) TSHRACHENPC1RAB9ASMN1; SMN2
SCHEMBL197690 0.77 ACHE (0.64) TSHRACHENPC1RAB9ASMN1; SMN2
SCHEMBL5609719 0.76 ESR1 (0.40) ESR1TSHRACHENPC1RAB9A

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
EP-2638126-A1 NEGATIVE DISPERSION RETARDATION PLATE AND ACHROMATIC CIRCULAR POLARIZER CRYSOPTIX K.K. (JP) 2013-09-18 EP disclosed
WO-2012064618-A1 NEGATIVE DISPERSION RETARDATION PLATE AND ACHROMATIC CIRCULAR POLARIZER CRYSOPTIX KK (JP) 2012-05-18 WO disclosed