SCHEMBL8990793

SCHEMBL8990793

CNC(=O)Nc1ccccc1-c1ccc(CN2Cc3ccc(SC)cc3S[C@@H](NC(=O)CC(C)(C)N)C2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.38
AGTR1 P30556 1/20 0.38
HDAC1 Q13547 1/20 0.33
KMT2A Q03164 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
ITGB1 P05556 1/20 0.30
ITGA4 P13612 1/20 0.30

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
SCHEMBL8990845 0.93 GHSR (0.37) GHSRAGTR1HDAC1KMT2ASIGMAR1
SCHEMBL8990990 0.90 GHSR (0.38) GHSRAGTR1HDAC1KMT2ASMN1; SMN2
SCHEMBL8990849 0.90 GHSR (0.42) GHSRAGTR1HDAC1KMT2ASMN1; SMN2
SCHEMBL8990875 0.90 GHSR (0.31) GHSRAGTR1
SCHEMBL8990788 0.89 GHSR (0.47) GHSRAGTR1SIGMAR1
SCHEMBL8990749 0.89 GHSR (0.31) GHSR
SCHEMBL8990947 0.89 GHSR (0.38) GHSRAGTR1HDAC1KMT2ASIGMAR1
SCHEMBL8991057 0.88 GHSR (0.40) GHSRAGTR1HDAC1KMT2ASIGMAR1
SCHEMBL8991082 0.87 GHSR (0.41) GHSRAGTR1HDAC1KMT2A
SCHEMBL8990938 0.84 GHSR (0.48) GHSRAGTR1SIGMAR1

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-5545735-A ANIMAL GROWTH REGULATORS MERCK & CO., INC. (US) 1996-08-13 US claimed
US-5545735-A ANIMAL GROWTH REGULATORS MERCK & CO., INC. (US) 1996-08-13 US disclosed