SCHEMBL11533371

SCHEMBL11533371

CC(=O)C(c1ccccc1)(c1ccccc1)n1cnnc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
CYP2C19 P33261 2/20 0.36
KCNN4 O15554 1/20 0.36
HIF1A Q16665 1/20 0.36
CYP1A2 P05177 3/20 0.35
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
CYP11B1 P15538 1/20 0.34

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
SCHEMBL11533841 0.92 CYP2C9 (0.42) SMN1; SMN2KMT2AMAPTCYP2C9LMNA
SCHEMBL11532022 0.91 KMT2A (0.40) KMT2AKDM4ECES1POLBLMNA
SCHEMBL11535581 0.84 OPRM1 (0.44) SMN1; SMN2PKMKMT2AMAPTCYP2C19
SCHEMBL11534465 0.84 CES1 (0.47) SMN1; SMN2PKMKMT2AMAPTCYP2C19
SCHEMBL11532465 0.82 MAPT (0.39) SMN1; SMN2PKMKMT2AMAPTCYP2C19
SCHEMBL11883684 0.80 CYP11B1 (0.57) SMN1; SMN2KMT2AMAPTCYP2C19KCNN4
SCHEMBL11532194 0.77 BCL2 (0.39) KMT2A
SCHEMBL11534461 0.76 CYP2C9 (0.40) SMN1; SMN2KMT2AMAPTKDM4EPOLB
SCHEMBL11533473 0.76 CES1 (0.42) SMN1; SMN2KMT2ACES1POLBLMNA
SCHEMBL11530455 0.75 BCL2 (0.37) SMN1; SMN2KMT2AMAPTKDM4ENPSR1

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-4140782-A Combating fungi and nematodes with diphenyl-triazolyl-methanes BAYER AKTIENGESELLSCHAFT (DE) 1979-02-20 US disclosed