SCHEMBL19235142

SCHEMBL19235142

CC(=N)Oc1ccc(S)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
MAPT P10636 3/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
ELANE P08246 2/20 0.32
HSD17B10 Q99714 2/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
IDO1 P14902 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HSP90AA1 P07900 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 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
SCHEMBL167279 0.76 LMNA (0.64) LMNAMAPTKMT2AMEN1POLB
SCHEMBL13665356 0.75 CA4 (0.43) LMNAMAPTELANEHSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL2865040 0.74 KMT2A (0.42) LMNAMAPTKMT2AMEN1POLB
SCHEMBL8764170 0.70 KMT2A (0.50) LMNAMAPTKMT2AMEN1POLB
SCHEMBL14268205 0.70 ELANE (0.59) LMNAMAPTKMT2AMEN1POLB
SCHEMBL11597793 0.69 KMT2A (0.50) LMNAMAPTKMT2AMEN1POLB
SCHEMBL9638536 0.69 KMT2A (0.50) LMNAMAPTKMT2AMEN1POLB
SCHEMBL11229844 0.68 LMNA (0.43) LMNAMAPTKMT2AMEN1POLB
SCHEMBL18857190 0.67 IDO1 (0.35) PRSS1PRSS2PRSS3IDO1
SCHEMBL11599136 0.67 ALDH1A1 (0.45) LMNAMAPTKMT2ARAB9AHSD17B10

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-2017137951-A1 INHERENTLY HEALING POLYCARBONATE RESINS SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2017-08-17 WO disclosed