SCHEMBL20816067

SCHEMBL20816067

C=CCN1C(=O)C(=Cc2ccc(CC)cc2)SC1=S

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MYC P01106 4/20 1.00
▸ MAX P61244 4/20 1.00
▸ ALDH1A1 P00352 5/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.64
▸ DNM1 Q05193 1/20 0.61
▸ HSD17B3 P37058 1/20 0.61
▸ KMT2A Q03164 7/20 0.57
▸ PSMD14 O00487 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ MEN1 O00255 6/20 0.56
▸ MAPT P10636 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ TDP1 Q9NUW8 2/20 0.53
▸ PDE4B Q07343 1/20 0.53
▸ BLM P54132 1/20 0.53
▸ SAE1 Q9UBE0 1/20 0.53
▸ UBA2 Q9UBT2 1/20 0.53
▸ MAOA P21397 1/20 0.53
▸ MAOB P27338 1/20 0.53
▸ SYK P43405 1/20 0.52

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
SCHEMBL20816065 1.00 MYC (1.00) MYCMAXALDH1A1SMN1; SMN2DNM1
SCHEMBL17051283 0.87 MYC (0.76) MYCMAXALDH1A1SMN1; SMN2DNM1
SCHEMBL1124985 0.85 MYC (0.74) MYCMAXALDH1A1SMN1; SMN2DNM1
SCHEMBL1124983 0.85 MYC (0.74) MYCMAXALDH1A1SMN1; SMN2DNM1
SCHEMBL10417660 0.81 PTPN12 (0.73) MYCMAXALDH1A1SMN1; SMN2KMT2A
SCHEMBL10417661 0.81 PTPN12 (0.73) MYCMAXALDH1A1SMN1; SMN2KMT2A
SCHEMBL12008740 0.79 MYC (0.83) MYCMAXALDH1A1SMN1; SMN2KMT2A
SCHEMBL12961221 0.78 MYC (1.00) MYCMAXALDH1A1SMN1; SMN2KMT2A
SCHEMBL12008430 0.77 MYC (0.76) MYCMAXALDH1A1SMN1; SMN2KMT2A
SCHEMBL8205853 0.76 HSD17B3 (0.62) MYCMAXALDH1A1SMN1; SMN2DNM1

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-20190085404-A1 METHODS OF IDENTIFYING AND TREATING IMMUNE CHECKPOINT INHIBITOR-RESPONSIVE NEOPLASMS AND CELLS, TRANSGENIC ANIMALS AND KITS FOR USE THEREIN THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2019-03-21 — — US disclosed
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