SCHEMBL17400888

SCHEMBL17400888

Fc1ccc2c(Cl)c(I)sc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCKDK O14874 1/20 0.56
▸ RAB9A P51151 4/20 0.46
▸ SENP1 Q9P0U3 1/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ LMNA P02545 3/20 0.40
▸ RECQL P46063 1/20 0.40
▸ PHOSPHO1 Q8TCT1 3/20 0.40
▸ MAPT P10636 2/20 0.39
▸ TLR3 O15455 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ MPI P34949 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ MAOB P27338 1/20 0.38

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
SCHEMBL12310725 0.77 BCKDK (0.56) BCKDKRAB9ASENP1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL16862023 0.76 BCKDK (0.54) BCKDKRAB9ASENP1SMN1; SMN2NPC1
SCHEMBL10253780 0.73 BCKDK (0.51) BCKDKRAB9ASENP1SMN1; SMN2NPC1
SCHEMBL3738095 0.73 BCKDK (0.55) BCKDKRAB9ASENP1SMN1; SMN2NPC1
SCHEMBL3747514 0.73 BCKDK (0.51) BCKDKRAB9ASENP1SMN1; SMN2NPC1
SCHEMBL12095386 0.73 BCKDK (0.55) BCKDKRAB9ASENP1SMN1; SMN2NPC1
SCHEMBL12263159 0.73 BCKDK (0.51) BCKDKRAB9ASENP1SMN1; SMN2NPC1
SCHEMBL594468 0.72 BCKDK (1.00) BCKDKRAB9ASENP1SMN1; SMN2NPC1
SCHEMBL2279755 0.72 BCKDK (0.77) BCKDKRAB9ASENP1SMN1; SMN2NPC1
SCHEMBL28375936 0.71 LOXL2 (0.53) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E

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-3050882-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS Incyte Holdings Corporation (US) 2016-08-03 — — EP disclosed
EP-2545045-B1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE HOLDINGS CORP (US) 2016-01-06 — — EP disclosed
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