SCHEMBL9550342

SCHEMBL9550342

CC1=CCC2C(=O)N(C#N)C(=O)C2C1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
GAA P10253 2/20 0.50
KMT2A Q03164 5/20 0.45
MEN1 O00255 2/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 6/20 0.44
TDP1 Q9NUW8 2/20 0.44
POLB P06746 2/20 0.44
APEX1 P27695 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.38

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
SCHEMBL9906960 0.78 ALDH1A1 (0.51) TSHRGAAKMT2AMEN1USP2
SCHEMBL9550340 0.75 ALDH1A1 (0.42) TSHRKMT2AALDH1A1TDP1POLB
SCHEMBL9550327 0.75 ALDH1A1 (0.42) TSHRKMT2AALDH1A1TDP1POLB
SCHEMBL24303345 0.74 TSHR (0.48) TSHRGAAKMT2AMEN1USP2
SCHEMBL18485432 0.72 ALDH1A1 (0.52) TSHRGAAKMT2AMEN1USP2
SCHEMBL10904614 0.71 GAA (0.71) TSHRGAAKMT2AMEN1USP2
SCHEMBL10099733 0.70 GAA (0.62) TSHRGAAKMT2AMEN1USP2
SCHEMBL11531787 0.70 POLB (0.48) TSHRGAAKMT2AMEN1USP2
SCHEMBL10903773 0.70 GAA (0.66) TSHRGAAKMT2AMEN1USP2
SCHEMBL10903800 0.70 NPSR1 (0.68) TSHRGAAKMT2AMEN1USP2

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-5216173-A Curing agents for epoxy resins; polyimides HENKEL RESEARCH CORPORATION (US) 1993-06-01 US disclosed
WO-1991001307-A2 N-CYANOIMIDES AND PROCESS FOR THEIR PREPARATION AND USES THEREOF HENKEL RESEARCH CORPORATION (US) 1991-02-07 WO disclosed