SCHEMBL11112545

SCHEMBL11112545

NC(Cc1ccccc1F)(SC=S)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.37
▸ IDO1 P14902 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.35
▸ RIPK1 Q13546 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ PARP15 Q460N3 1/20 0.34
▸ PARP14 Q460N5 1/20 0.34
▸ PARP10 Q53GL7 1/20 0.34
▸ ELOVL1 Q9BW60 1/20 0.34
▸ MAPK8 P45983 1/20 0.33

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
SCHEMBL1530292 0.73 ALDH1A1 (0.44) ALDH1A1IDO1SMN1; SMN2HIF1AKMT2A
SCHEMBL28690512 0.72 BLM (0.49) ALDH1A1IDO1SMN1; SMN2HIF1AKMT2A
SCHEMBL29521900 0.72 BLM (0.49) ALDH1A1IDO1SMN1; SMN2HIF1AKMT2A
SCHEMBL427855 0.72 BLM (0.49) ALDH1A1IDO1SMN1; SMN2HIF1AKMT2A
SCHEMBL12679276 0.72 BLM (0.49) ALDH1A1IDO1SMN1; SMN2HIF1AKMT2A
SCHEMBL427854 0.72 BLM (0.49) ALDH1A1IDO1SMN1; SMN2HIF1AKMT2A
SCHEMBL19873299 0.70 RIPK1 (0.43) ALDH1A1IDO1SMN1; SMN2HIF1AKMT2A
SCHEMBL29009853 0.70 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL28798055 0.68 RIPK1 (0.47) ALDH1A1HIF1AKMT2AMEN1KDM4E
SCHEMBL17931647 0.68 RIPK1 (0.51) ALDH1A1HIF1AKMT2AMEN1KDM4E

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
US-4450159-A ORGAN TRANSPLANTS; IMMUNOLOGY THE UPJOHN COMPANY (US) 1984-05-22 — — US disclosed
US-4352929-A ANTIBODY INHIBITORS THE UPJOHN COMPANY (US) 1982-10-05 — — US disclosed
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