SCHEMBL11290332

SCHEMBL11290332

CSC(=O)Nc1cccc(O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.65
▸ CYP1A2 P05177 1/20 0.65
▸ KMT2A Q03164 5/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ BAZ1A Q9NRL2 1/20 0.51
▸ NLRP3 Q96P20 6/20 0.51
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ TP53 P04637 3/20 0.50
▸ MAPK1 P28482 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ MAPT P10636 3/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ MMP1 P03956 3/20 0.49
▸ MMP2 P08253 3/20 0.49
▸ MMP9 P14780 3/20 0.49
▸ TRPV1 Q8NER1 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ POLB P06746 1/20 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
SCHEMBL11868133 0.81 ALDH1A1 (0.59) ALDH1A1CYP1A2KMT2AMEN1NPC1
SCHEMBL18475732 0.81 ALDH1A1 (0.59) ALDH1A1CYP1A2KMT2AMEN1NLRP3
SCHEMBL11063440 0.80 MEN1 (0.65) ALDH1A1CYP1A2KMT2AMEN1NPC1
SCHEMBL7258589 0.80 HSD17B10 (0.60) ALDH1A1KMT2AMEN1NPC1RAB9A
Metacetamol SCHEMBL31195432 0.79 ALDH1A1 (1.00) ALDH1A1CYP1A2KMT2AMEN1NLRP3
Metacetamol SCHEMBL181254 0.79 ALDH1A1 (1.00) ALDH1A1CYP1A2KMT2AMEN1NLRP3
SCHEMBL29473480 0.78 ALDH1A1 (0.70) ALDH1A1CYP1A2KMT2AMEN1BAZ1A
SCHEMBL9400341 0.78 ALDH1A1 (0.70) ALDH1A1CYP1A2KMT2AMEN1BAZ1A
SCHEMBL11866469 0.77 RAB9A (0.68) ALDH1A1CYP1A2KMT2AMEN1NPC1
SCHEMBL11870487 0.77 SMN1; SMN2 (0.58) ALDH1A1KMT2AMEN1NPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0009158-B1 PROCESS FOR THE PREPARATION OF N-(3-HYDROXYPHENYL)-(THIOL)-CARBAMATES BASF Aktiengesellschaft (DE) 1982-04-28 — — EP disclosed
EP-0009158-A1 Process for the preparation of N-(3-hydroxyphenyl)-(thiol)-carbamates BASF Aktiengesellschaft (DE) 1980-04-02 — — EP disclosed
US-4077798-A FOR RICE PLANTS SCHERING AKTIENGESELLSCHAFT (DT) 1978-03-07 — — US disclosed
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