SCHEMBL29139530

SCHEMBL29139530

CC(=O)n1nc2cc(Cl)ccc2c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
CLK1 P49759 1/20 0.43
POLB P06746 1/20 0.40
KMO O15229 2/20 0.40
NOTUM Q6P988 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
ENPP3 O14638 2/20 0.39
ALPL P05186 2/20 0.39
XIAP P98170 2/20 0.39
ELANE P08246 1/20 0.39
ENPP1 P22413 1/20 0.39
MCL1 Q07820 1/20 0.39
GAA P10253 2/20 0.38
LMNA P02545 2/20 0.38
EGFR P00533 1/20 0.38
NR4A2 P43354 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38

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
SCHEMBL29139533 0.79 KMT2A (0.42) KMT2ACLK1POLBKMONOTUM
SCHEMBL203715 0.77 MCL1 (0.44) KMT2ACLK1POLBKMOALDH1A1
SCHEMBL13106271 0.74 POLB (0.46) KMT2APOLBKMOLMNANR4A2
SCHEMBL11748058 0.71 IDE (0.47) KMT2APOLBALDH1A1ELANEMCL1
SCHEMBL11749925 0.70 LMNA (0.42) KMT2ACLK1ALDH1A1MCL1GAA
SCHEMBL11747559 0.70 KMT2A (0.42) KMT2APOLBALDH1A1MCL1GAA
SCHEMBL2733644 0.68 MCL1 (0.41) KMT2APOLBKMOALDH1A1CYP3A4
SCHEMBL19532532 0.68 ELANE (0.40) KMT2AKMOELANEKDM4EMAPT
SCHEMBL8300318 0.67 PDGFRA (0.46) KMT2ACLK1KMOALDH1A1CYP3A4
SCHEMBL20820754 0.66 KDM4C (0.38) KMT2APOLBKMOCYP3A4MCL1

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