SCHEMBL17978417

SCHEMBL17978417

O=c1c2ccccc2[nH]c(=S)n1CCN1CCCCC1=C(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.68
▸ DGKA P23743 1/20 0.68
▸ DGKG P49619 1/20 0.68
▸ HIF1A Q16665 1/20 0.68
▸ HTR2A P28223 3/20 0.58
▸ HPGD P15428 3/20 0.58
▸ CYP1A2 P05177 2/20 0.58
▸ CYP3A4 P08684 2/20 0.58
▸ HTR1A P08908 2/20 0.58
▸ CYP2C9 P11712 2/20 0.58
▸ DRD2 P14416 2/20 0.58
▸ HTR2C P28335 2/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ ALDH1A1 P00352 3/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ KMT2A Q03164 3/20 0.56
▸ MPO P05164 2/20 0.56
▸ GAA P10253 1/20 0.50
▸ LMNA P02545 3/20 0.49

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
Diacylglycerol Kinase Inhibitor Ii SCHEMBL317664 0.81 MAPT (1.00) MAPTDGKADGKGHIF1AHTR2A
SCHEMBL2730275 0.74 ALDH1A1 (1.00) MAPTDGKADGKGHIF1AHTR2A
Altanserin SCHEMBL30136526 0.74 HTR2A (1.00) MAPTDGKADGKGHIF1AHTR2A
Altanserin SCHEMBL12629110 0.74 HTR2A (1.00) MAPTDGKADGKGHIF1AHTR2A
Altanserin SCHEMBL30136524 0.74 HTR2A (1.00) MAPTDGKADGKGHIF1AHTR2A
Altanserin SCHEMBL404849 0.74 HTR2A (1.00) MAPTDGKADGKGHIF1AHTR2A
Altanserin SCHEMBL15662949 0.73 HTR2A (1.00) MAPTDGKADGKGHIF1AHTR2A
Hydrochloric Acid SCHEMBL2730111 0.73 ALDH1A1 (0.97) MAPTDGKADGKGHIF1AHTR2A
SCHEMBL2732924 0.73 KMT2A (1.00) MAPTDGKADGKGHIF1AHPGD
Hydrochloric Acid SCHEMBL2731304 0.72 KMT2A (0.97) MAPTDGKADGKGHIF1AHTR2A

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-2016127255-A1 MEDIATION OF INFLAMMATORY RESPONSE USING INHIBITORS OF NETOSIS NADESALINGAM PALANIYAR (CA) 2016-08-18 — — WO disclosed
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