SCHEMBL10666115

SCHEMBL10666115

CC(C)(C)C(=O)C(CCOc1ccc(C(C)(C)C)cc1)n1cncn1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
CYP3A4 P08684 1/20 0.48
POLB P06746 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RAB9A P51151 1/20 0.38
GAA P10253 1/20 0.38
CACNA1H O95180 1/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL11181063 0.88 MAPT (0.65) MAPTCYP3A4KMT2AMEN1SMN1; SMN2
SCHEMBL10568398 0.82 MAPT (0.62) MAPTCYP3A4KMT2AMEN1SMN1; SMN2
SCHEMBL11089621 0.78 CYP3A4 (0.53) MAPTCYP3A4POLBKMT2AMEN1
SCHEMBL10504752 0.78 MEN1 (0.50) MAPTCYP3A4POLBKMT2AMEN1
SCHEMBL11169707 0.77 CYP3A4 (0.77) MAPTCYP3A4POLBKMT2AMEN1
SCHEMBL12415427 0.75 MAPT (0.60) MAPTCYP3A4POLBKMT2AMEN1
SCHEMBL1966676 0.73 MAPT (0.54) MAPTCYP3A4KMT2AMEN1SMN1; SMN2
SCHEMBL1963735 0.73 MAPT (0.54) MAPTCYP3A4POLBKMT2AMEN1
SCHEMBL1923770 0.73 MAPT (0.55) MAPTCYP3A4POLBKMT2AMEN1
SCHEMBL1965569 0.73 MAPT (0.53) MAPTCYP3A4KMT2AMEN1

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
US-4748250-A Diastereoselective reduction of alpha-triazolylketones to betatriazolylcarbinols BASF AKTIENGESELLSCHAFT (DE) 1988-05-31 US disclosed