SCHEMBL9161488

SCHEMBL9161488

OC(=S)Cc1c[nH]c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.65
▸ KMT2A Q03164 8/20 0.65
▸ MAPT P10636 7/20 0.65
▸ KDM4E B2RXH2 4/20 0.65
▸ SMN1; SMN2 Q16637 3/20 0.65
▸ ALDH1A1 P00352 3/20 0.65
▸ HPGD P15428 1/20 0.65
▸ SLC6A2 P23975 1/20 0.61
▸ FNTA P49354 1/20 0.61
▸ FNTB P49356 1/20 0.61
▸ CYP3A4 P08684 4/20 0.60
▸ AHR P35869 1/20 0.60
▸ GPR84 Q9NQS5 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ LMNA P02545 2/20 0.57
▸ PKM P14618 1/20 0.54
▸ CYP2D6 P10635 3/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ MPO P05164 2/20 0.53
▸ CYP2A6 P11509 1/20 0.53

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
SCHEMBL2874856 0.84 MEN1 (0.58) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL12691322 0.81 MEN1 (0.65) MEN1KMT2AMAPTKDM4ESMN1; SMN2
Indole-3-Acetic Acid SCHEMBL7887240 0.81 MEN1 (0.75) MEN1KMT2AMAPTKDM4ESMN1; SMN2
Indole-3-Acetic Acid SCHEMBL26344 0.81 MEN1 (0.75) MEN1KMT2AMAPTKDM4ESMN1; SMN2
Indole-3-Acetic Acid SCHEMBL29350750 0.81 MEN1 (0.75) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL24577957 0.80 MAPT (0.68) MEN1KMT2AMAPTKDM4ESMN1; SMN2
Indole-3-Acetic Acid SCHEMBL468233 0.80 MEN1 (0.73) MEN1KMT2AMAPTKDM4ESMN1; SMN2
Indole-3-Acetic Acid SCHEMBL31152574 0.80 MEN1 (0.73) MEN1KMT2AMAPTKDM4ESMN1; SMN2
Indole-3-Acetic Acid SCHEMBL1375190 0.80 MEN1 (0.73) MEN1KMT2AMAPTKDM4ESMN1; SMN2
Indole-3-Acetic Acid SCHEMBL11125791 0.80 MEN1 (0.73) MEN1KMT2AMAPTKDM4ESMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0526478-B1 3-INDOLYL THIOACETATE DERIVATIVES MERRELL DOW PHARMA (US) 1995-03-15 — — EP claimed
US-4617309-A Sulfur-containing indole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-10-14 — — US disclosed
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