SCHEMBL8534851

SCHEMBL8534851

CS(=O)(=O)N1CCCC(C(=O)NCCc2cncn2Cc2ccc(C#N)cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.53
CYP11B2 P19099 3/20 0.53
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 2/20 0.49
TSHR P16473 2/20 0.49
FNTA P49354 6/20 0.49
FNTB P49356 6/20 0.49
PGGT1B P53609 6/20 0.49
GLA P06280 1/20 0.49
GPBAR1 Q8TDU6 2/20 0.48
NPSR1 Q6W5P4 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL8097870 1.00 CYP11B1 (0.53) CYP11B1CYP11B2KMT2AALDH1A1TSHR
SCHEMBL6003187 0.90 FNTA (0.55) CYP11B1CYP11B2KMT2AALDH1A1FNTA
SCHEMBL8436859 0.90 FNTA (0.55) CYP11B1CYP11B2KMT2AALDH1A1FNTA
SCHEMBL5285086 0.88 MAPK1 (0.48) CYP11B1CYP11B2KMT2ATSHRFNTA
SCHEMBL8423622 0.88 ALDH1A1 (0.57) CYP11B1CYP11B2ALDH1A1FNTAFNTB
SCHEMBL7513048 0.88 MAPK1 (0.48) CYP11B1CYP11B2KMT2ATSHRFNTA
SCHEMBL8104389 0.88 ALDH1A1 (0.57) CYP11B1CYP11B2ALDH1A1FNTAFNTB
SCHEMBL8103587 0.88 ALDH1A1 (0.57) CYP11B1CYP11B2ALDH1A1FNTAFNTB
SCHEMBL5298259 0.86 FNTA (0.51) CYP11B1CYP11B2ALDH1A1FNTAFNTB
SCHEMBL8434426 0.86 FNTA (0.51) CYP11B1CYP11B2ALDH1A1FNTAFNTB

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-5817678-A IMIDAZOLE-CONTAINING PIPERIDINE DERIVATIVES, PEPTIDEMIMETIC MERCK & CO., INC. (US) 1998-10-06 US disclosed