SCHEMBL11048403

SCHEMBL11048403

CC(C)C(C)CNc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
DNM1 Q05193 1/20 0.40
HPGD P15428 2/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
LMNA P02545 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL9418810 0.92 ALDH1A1 (0.52) MAPTALDH1A1TDP1HTTSMN1; SMN2
SCHEMBL9572739 0.83 MAPT (0.46) MAPTALDH1A1TDP1HTTSMN1; SMN2
SCHEMBL182877 0.81 MAPT (0.52) MAPTALDH1A1TDP1HTTSMN1; SMN2
SCHEMBL24777648 0.81 ALDH1A1 (0.46) MAPTALDH1A1TDP1HTTSMN1; SMN2
Iodide SCHEMBL29028129 0.79 MAPT (0.50) MAPTALDH1A1TDP1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL17710400 0.79 MAPT (0.50) MAPTALDH1A1TDP1HTTSMN1; SMN2
Ammonia Solution, Strong SCHEMBL6702357 0.79 MAPT (0.50) MAPTALDH1A1TDP1HTTSMN1; SMN2
SCHEMBL21843138 0.78 MAPT (0.55) MAPTALDH1A1TDP1HTTSMN1; SMN2
SCHEMBL14511191 0.78 MAPT (0.46) MAPTALDH1A1TDP1HTTSMN1; SMN2
SCHEMBL21799785 0.78 CA12 (0.40) MAPTALDH1A1TDP1HTTFNTA

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-4468526-A Process for the preparation of thiuram disulfides AKZONA INCORPORATED (US) 1984-08-28 US disclosed