SCHEMBL30739593

SCHEMBL30739593

Cc1cc(NCc2ccc(OC(F)(F)F)cc2)ccc1NC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.55
TCF7L2 Q9NQB0 1/20 0.55
MAPT P10636 1/20 0.54
POLB P06746 1/20 0.51
HDAC1 Q13547 5/20 0.49
HDAC2 Q92769 3/20 0.49
PPARA Q07869 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
IGF2BP2 Q9Y6M1 1/20 0.48
TP53 P04637 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
NAMPT P43490 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
SCHEMBL30739706 0.87 HDAC1 (0.64) MAPTPOLBHDAC1HDAC2PPARA
SCHEMBL30739775 0.87 POLB (0.55) CTNNB1TCF7L2MAPTPOLBHDAC1
SCHEMBL30739785 0.83 POLB (0.58) MAPTPOLBHDAC1HDAC2HDAC3
SCHEMBL6676510 0.83 IGF2BP2 (0.62) MAPTPOLBIGF2BP2TP53TRPV1
SCHEMBL30739866 0.79 KMT2A (0.57) MAPTPOLBHDAC6MEN1KMT2A
SCHEMBL1064349 0.79 HDAC1 (0.74) HDAC1HDAC2HDAC3
SCHEMBL1063795 0.79 HDAC1 (0.74) HDAC1HDAC2HDAC3
SCHEMBL30739574 0.76 MAPT (0.61) MAPTPOLBTP53MEN1KMT2A
SCHEMBL30739891 0.76 POLB (0.60) MAPTPOLBHDAC1HDAC8HDAC6
SCHEMBL28317640 0.76 TP53 (0.62) MAPTPOLBTP53MEN1KMT2A

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
CN-118044519-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-05-17 CN disclosed
CN-110072842-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-02-02 CN disclosed