SCHEMBL6510014

SCHEMBL6510014

O=S(=O)(Cl)Cl.c1ccc(Oc2cccnc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.58
LMNA P02545 2/20 0.58
CYP11B1 P15538 1/20 0.54
CYP11B2 P19099 1/20 0.54
CYP19A1 P11511 2/20 0.53
HTT P42858 2/20 0.49
ALDH1A1 P00352 2/20 0.49
GRM2 Q14416 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
TP53 P04637 1/20 0.48
RECQL P46063 1/20 0.48
LTA4H P09960 2/20 0.47
SOS1 Q07889 1/20 0.47
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
FFAR4 Q5NUL3 2/20 0.45
TSHR P16473 1/20 0.44

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
Sulfuric Acid SCHEMBL11641651 0.89 TDP1 (0.58) TDP1LMNACYP11B1CYP11B2CYP19A1
Sulfuric Acid SCHEMBL9644820 0.89 TDP1 (0.58) TDP1LMNACYP11B1CYP11B2CYP19A1
SCHEMBL29500180 0.88 LMNA (0.72) TDP1LMNACYP11B1CYP11B2CYP19A1
SCHEMBL78141 0.88 LMNA (0.72) TDP1LMNACYP11B1CYP11B2CYP19A1
SCHEMBL27968872 0.86 LMNA (0.69) TDP1LMNACYP11B1CYP11B2CYP19A1
Hydrochloric Acid SCHEMBL9386460 0.86 LMNA (0.69) TDP1LMNACYP11B1CYP11B2CYP19A1
Bromide SCHEMBL9391382 0.86 LMNA (0.69) TDP1LMNACYP11B1CYP11B2CYP19A1
SCHEMBL2845658 0.86 LMNA (0.55) TDP1LMNACYP11B1CYP11B2CYP19A1
SCHEMBL9387464 0.86 TDP1 (0.55) TDP1LMNACYP11B1CYP11B2CYP19A1
SCHEMBL6512870 0.82 LTA4H (0.50) TDP1LMNACYP19A1HTTALDH1A1

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-2005040112-A1 COMPOUNDS WITH PGD2 ANTAGONIST ACTIVITY OXAGEN LIMITED (GB) 2005-05-06 WO disclosed