SCHEMBL9557648

SCHEMBL9557648

CCN(C(=O)c1ccccc1C)N(C(=O)c1ccccc1C)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.45
ABCB1 P08183 1/20 0.41
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
TP53 P04637 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HPGD P15428 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL9557119 0.91 TSHR (0.52) TSHRMAPK1KMT2AABCB1ERCC5
SCHEMBL9557931 0.91 TSHR (0.52) TSHRMAPK1KMT2AABCB1ERCC5
SCHEMBL9557349 0.89 TSHR (0.47) TSHRMAPK1KMT2AABCB1HDAC1
SCHEMBL9557332 0.87 TSHR (0.45) TSHRMAPK1KMT2AABCB1HDAC1
SCHEMBL11213915 0.85 TSHR (0.60) TSHRMAPK1KMT2AERCC5FEN1
SCHEMBL9557605 0.83 MEN1 (0.43) KMT2AERCC5FEN1HDAC1TP53
SCHEMBL9557722 0.83 TP53 (0.54) ABCB1TP53
SCHEMBL9558221 0.81 CTSD (0.45) TSHRHDAC1HDAC6TP53HPGD
SCHEMBL9557589 0.81 OPRM1 (0.44) TSHRMAPK1KMT2ATP53HPGD
SCHEMBL9557556 0.79 KMT2A (0.49) TSHRMAPK1KMT2AABCB1ERCC5

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-5225443-A Lepidotera and Coleoptera insecticides to protect plants ROHM AND HAAS COMPANY (US) 1993-07-06 US disclosed
EP-0245950-A2 Insecticidal n-substituted-n' - substituted-n, n'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1987-11-19 EP disclosed