SCHEMBL29139533

SCHEMBL29139533

CC(=O)n1nc2cc(Cl)ccc2c1CBr

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
CLK1 P49759 1/20 0.40
LMNA P02545 2/20 0.38
PDGFRA P16234 1/20 0.37
CDK5 Q00535 1/20 0.37
TYRO3 Q06418 1/20 0.37
KMO O15229 1/20 0.36
MCL1 Q07820 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
NOTUM Q6P988 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4C Q9H3R0 2/20 0.35
RXFP1 Q9HBX9 3/20 0.35
PRNP P04156 2/20 0.35
POLB P06746 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
SCHEMBL29139530 0.79 KMT2A (0.49) KMT2ACLK1LMNAKMOMCL1
SCHEMBL8300318 0.74 PDGFRA (0.46) KMT2ACLK1PDGFRACDK5TYRO3
SCHEMBL11748058 0.67 IDE (0.47) KMT2ALMNAMCL1ALDH1A1KDM4E
SCHEMBL203715 0.67 MCL1 (0.44) KMT2ACLK1KMOMCL1ALDH1A1
SCHEMBL13106380 0.66 POLB (0.39) KMT2AKMOALDH1A1KDM4CPOLB
SCHEMBL11747559 0.66 KMT2A (0.42) KMT2ALMNAMCL1ALDH1A1KDM4E
SCHEMBL11749925 0.66 LMNA (0.42) KMT2ACLK1LMNAMCL1ALDH1A1
SCHEMBL28198349 0.65 KDM4C (0.42) KMT2AKMOALDH1A1CYP3A4KDM4E
SCHEMBL28748691 0.64 PPP1CA (0.45) KMT2AKMOMCL1ALDH1A1CYP3A4
SCHEMBL205202 0.64 HPGD (0.42) KMT2ACLK1KMOMCL1ALDH1A1

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
CN-116891484-A Condensed ring compound, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-10-17 CN disclosed