SCHEMBL22479108

SCHEMBL22479108

Cc1ccc2sc(I)c(F)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.40
▸ CYP2A6 P11509 2/20 0.33
▸ PARP15 Q460N3 2/20 0.33
▸ PARP10 Q53GL7 2/20 0.33
▸ TNKS2 Q9H2K2 2/20 0.33
▸ PARP2 Q9UGN5 2/20 0.33
▸ APP P05067 1/20 0.33
▸ KIF11 P52732 2/20 0.33
▸ PMM2 O15305 1/20 0.32
▸ G6PD P11413 1/20 0.32
▸ MPI P34949 1/20 0.32
▸ PHOSPHO1 Q8TCT1 1/20 0.32
▸ APOBEC3G Q9HC16 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ PIM2 Q9P1W9 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ ACHE P22303 1/20 0.30

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
SCHEMBL17339892 0.80 IDO1 (0.45) IDO1CYP2A6PARP15PARP10TNKS2
SCHEMBL24444921 0.80 IDO1 (0.36) IDO1CYP2A6PARP15PARP10TNKS2
SCHEMBL1609993 0.74 CYP2A6 (0.42) IDO1CYP2A6PARP15PARP10TNKS2
SCHEMBL18550534 0.72 IDO1 (0.36) IDO1CYP2A6PARP15PARP10TNKS2
SCHEMBL27416204 0.72 IDO1 (0.42) IDO1CYP2A6PARP15PARP10TNKS2
SCHEMBL6404079 0.72 MCL1 (0.54) IDO1MAPTRAB9ABCL2L1MCL1
SCHEMBL12778296 0.71 GPR3 (0.50) IDO1MAPTRAB9AMCL1
SCHEMBL825667 0.70 CYP2A6 (0.39) IDO1CYP2A6PARP15PARP10TNKS2
SCHEMBL16785723 0.70 PIM1 (0.42) IDO1CYP2A6PARP15PARP10TNKS2
SCHEMBL17969060 0.69 CYP17A1 (0.40) KIF11PMM2G6PDMPIPHOSPHO1

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-2020198435-A1 SMALL MOLECULE DEGRADERS OF STAT3 THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-10-01 — — WO disclosed
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