SCHEMBL29959837

SCHEMBL29959837

CN1CCSC1=CC=C1C(=O)N(C)C(=S)N1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 17/20 1.00
KMT2A Q03164 17/20 1.00
MAPT P10636 16/20 1.00
ALDH1A1 P00352 13/20 1.00
RAB9A P51151 11/20 1.00
SMN1; SMN2 Q16637 9/20 1.00
NPC1 O15118 9/20 1.00
MAPK1 P28482 7/20 1.00
GAA P10253 3/20 1.00
LMNA P02545 1/20 1.00
STAT1 P42224 1/20 0.58
TNNI3 P19429 4/20 0.57
TNNT2 P45379 4/20 0.57
TNNC1 P63316 4/20 0.57
PSMD14 O00487 2/20 0.56
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
POLB P06746 4/20 0.47
USP2 O75604 3/20 0.47

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
SCHEMBL14279368 0.72 KMT2A (0.56) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL2058445 0.72 KMT2A (0.56) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL2058443 0.72 KMT2A (0.56) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL6741916 0.72 MAPT (1.00) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL13026074 0.72 MAPT (1.00) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL6741919 0.72 MAPT (1.00) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL13026073 0.72 MEN1 (0.56) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL19239988 0.71 MAPT (0.55) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL19240087 0.69 MAPT (0.56) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL19240086 0.68 MAPT (0.55) MEN1KMT2AMAPTALDH1A1RAB9A

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
EP-3485076-B1 CLEANING AGENT IDENTIFICATION HENKEL AG & CO KGAA (DE) 2022-11-02 EP disclosed