SCHEMBL11801596

SCHEMBL11801596

O=C(O)c1ccc(Cl)c(Br)c1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
TSHR P16473 5/20 0.48
TP53 P04637 1/20 0.48
CASP1 P29466 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP1A2 P05177 1/20 0.44
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
PTPRC P08575 1/20 0.41
PTPRG P23470 1/20 0.41
DPP4 P27487 1/20 0.40
LMNA P02545 1/20 0.40
SORT1 Q99523 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 2/20 0.39

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
SCHEMBL29981799 0.85 CYP1A2 (0.58) ALDH1A1TSHRCASP1SMN1; SMN2CYP1A2
SCHEMBL1372033 0.85 CYP1A2 (0.58) ALDH1A1TSHRCASP1SMN1; SMN2CYP1A2
SCHEMBL8997789 0.84 TSHR (0.52) ALDH1A1TSHRTP53CASP1SMN1; SMN2
SCHEMBL29041506 0.84 TSHR (0.52) ALDH1A1TSHRTP53CASP1SMN1; SMN2
SCHEMBL16713045 0.81 CSNK2A2 (0.45) ALDH1A1TSHRTP53CASP1SMN1; SMN2
SCHEMBL31636377 0.81 ALDH1A1 (0.44) ALDH1A1TSHRTP53CASP1SMN1; SMN2
SCHEMBL7778450 0.81 ALDH1A1 (0.44) ALDH1A1TSHRTP53CASP1SMN1; SMN2
SCHEMBL30639078 0.81 ALDH1A1 (0.44) ALDH1A1TSHRTP53CASP1SMN1; SMN2
SCHEMBL7179096 0.81 TSHR (0.44) ALDH1A1TSHRTP53CASP1SMN1; SMN2
SCHEMBL478797 0.81 TSHR (0.44) ALDH1A1TSHRTP53CASP1SMN1; SMN2

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-4042571-A Fire-retardant polyamides from naphthalene dicarboxylic reactant and halogenated carboxylic reactant TEIJIN LIMITED (JA) 1977-08-16 US disclosed