SCHEMBL21021287

SCHEMBL21021287

C=C(Nc1ccc(C)c(C(=O)Nc2ccc3c(ccn3Cc3ccccc3)c2)c1)C1C(c2cc(C)cc(Cl)c2)C1(C)Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.37
LMNA P02545 2/20 0.37
EPHX2 P34913 6/20 0.36
NR1I2 O75469 1/20 0.36
ALOX5 P09917 2/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
KCNQ4 P56696 1/20 0.35
KCNQ5 Q9NR82 1/20 0.35

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
SCHEMBL20076610 0.78 HDAC1 (0.35) LMNAHDAC1HDAC8HDAC6BRAF
SCHEMBL21021353 0.77 HDAC1 (0.34) LMNAHDAC1HDAC8HDAC6BRAF
SCHEMBL18147776 0.76 FLT1 (0.42) MAOBLMNAEPHX2NR1I2ALOX5
SCHEMBL18147780 0.76 FLT1 (0.42) MAOBLMNAEPHX2NR1I2ALOX5
SCHEMBL20076548 0.73 POLB (0.34)
SCHEMBL20076568 0.72
SCHEMBL20076998 0.71 KMT2A (0.41) LMNAHDAC1HDAC8HDAC6
SCHEMBL21021309 0.71 LMNA (0.37) LMNA
SCHEMBL21021239 0.71 MEN1 (0.31)
SCHEMBL20076742 0.70 MEN1 (0.31) LMNA

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
EP-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed