SCHEMBL9756879

SCHEMBL9756879

COC(=O)C(C)(C)Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
KCNN4 O15554 1/20 0.52
SRC P12931 1/20 0.47
ELANE P08246 1/20 0.42
TSHR P16473 3/20 0.42
NAPRT Q6XQN6 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
PDK1 Q15118 2/20 0.41
PDK2 Q15119 2/20 0.41

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
SCHEMBL11729043 0.86 MAPT (0.45) MAPTKCNN4SRCPDK1PDK2
SCHEMBL28531503 0.84 MAPT (0.59) MAPTKCNN4SRCELANETSHR
SCHEMBL19707373 0.82 RAB9A (0.53) MAPTTP53ALDH1A1CYP26A1
SCHEMBL28229440 0.82 MAPT (0.57) MAPTKCNN4SRCELANETSHR
SCHEMBL2986775 0.82 MAPT (0.56) MAPTTSHRHSD17B10SMN1; SMN2NPSR1
SCHEMBL1646972 0.81 NAPRT (0.46) MAPTTSHRNAPRTHSD17B10HDAC3
SCHEMBL11350456 0.81 NAPRT (0.52) MAPTTSHRNAPRTHSD17B10PDK1
SCHEMBL11333348 0.81 ELANE (0.48) MAPTELANETSHRPDK1PDK2
SCHEMBL19707314 0.81 POLB (0.54) MAPTELANETSHRPDK1PDK2
SCHEMBL5955245 0.80 RAB9A (0.62) MAPTSMN1; SMN2ALDH1A1GPR55

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
US-5041518-A Process for the production of polyhydantoins containing amide groups and/or imide groups BAYER AKTIENGESELLSCHAFT (DE) 1991-08-20 US disclosed
US-5006641-A Heat resistance, construction materials, cyclization of polyureas BAYER AKTIENGESELLSCHAFT (DE) 1991-04-09 US disclosed