SCHEMBL3723384

SCHEMBL3723384

CCOC(=O)c1cnc(SC)nc1N(c1ccccc1)C1CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ POLB P06746 2/20 0.56
▸ MAPT P10636 8/20 0.50
▸ HPGD P15428 3/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ SMN1; SMN2 Q16637 6/20 0.48
▸ SYK P43405 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ TSHR P16473 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 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
SCHEMBL3716217 0.86 SMN1; SMN2 (0.44) ALDH1A1TDP1POLBMAPTMEN1
SCHEMBL3722179 0.84 SMN1; SMN2 (0.42) ALDH1A1TDP1POLBMAPTMEN1
SCHEMBL11020554 0.79 ALDH1A1 (0.56) ALDH1A1TDP1POLBMAPTHPGD
SCHEMBL11020556 0.78 ALDH1A1 (0.55) ALDH1A1TDP1POLBMAPTHPGD
SCHEMBL3528024 0.77 ALDH1A1 (0.53) ALDH1A1TDP1POLBMAPTHPGD
SCHEMBL4260559 0.75 MEN1 (0.56) ALDH1A1TDP1POLBMAPTHPGD
SCHEMBL12556585 0.74 MEN1 (0.51) ALDH1A1TDP1POLBMAPTHPGD
SCHEMBL20891948 0.74 ALDH1A1 (0.59) ALDH1A1TDP1POLBMAPTHPGD
SCHEMBL3442518 0.74 ALDH1A1 (0.70) ALDH1A1TDP1POLBMAPTHPGD
SCHEMBL4494985 0.74 MEN1 (0.50) ALDH1A1TDP1POLBMAPTHPGD

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-2010129802-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-11 — — WO disclosed
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