SCHEMBL9702876

SCHEMBL9702876

CCCC1CCC(c2ccc(C(=O)NN)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 1.00
ALDH1A1 P00352 2/20 1.00
LMNA P02545 2/20 1.00
CYP2C9 P11712 1/20 0.74
MEN1 O00255 1/20 0.62
MAPK1 P28482 1/20 0.62
KMT2A Q03164 1/20 0.62
HDAC8 Q9BY41 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC3 O15379 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
OGG1 O15527 1/20 0.45
DGAT1 O75907 6/20 0.44
ESR2 Q92731 1/20 0.43
MPO P05164 1/20 0.42
CYP3A4 P08684 1/20 0.42
KDM5A P29375 1/20 0.42
BLM P54132 1/20 0.42
GFER P55789 1/20 0.42

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
SCHEMBL9702868 1.00 MAPT (1.00) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL8290975 0.85 CYP2C9 (1.00) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL2974814 0.84 CYP2C9 (0.77) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL9512356 0.83 CYP2C9 (0.75) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL9512365 0.83 CYP2C9 (0.75) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL3267992 0.83 CYP2C9 (0.75) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL17253327 0.83 CYP2C9 (0.75) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL2770921 0.83 CYP2C9 (0.75) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL11041282 0.82 ALDH1A1 (0.70) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL11041289 0.82 ALDH1A1 (0.70) MAPTALDH1A1LMNACYP2C9MEN1

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-5143642-A Thiadiazoles MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-09-01 US disclosed