SCHEMBL29143012

SCHEMBL29143012

O=C1Nc2ccccc2C1(O)c1cc(Cl)ccn1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.51
POLB P06746 2/20 0.48
CASP6 P55212 1/20 0.48
ATM Q13315 1/20 0.42
GSK3B P49841 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
TSHR P16473 1/20 0.40
IDO1 P14902 2/20 0.40
PDK2 Q15119 1/20 0.39
PDK4 Q16654 1/20 0.39
BRD4 O60885 1/20 0.38
ADCY8 P40145 1/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL27019627 0.83 KMT2A (0.51) KMT2AMEN1POLBCASP6ATM
SCHEMBL29143044 0.82 ALDH1A1 (0.47) KMT2AMEN1POLBCASP6ALDH1A1
SCHEMBL24281107 0.80 KMT2A (0.58) KMT2AMEN1POLBCASP6ATM
SCHEMBL30725543 0.80 KMT2A (0.58) KMT2AMEN1POLBCASP6ATM
SCHEMBL24281068 0.80 KMT2A (0.48) KMT2AMEN1POLBCASP6ATM
SCHEMBL2499348 0.79 IDO1 (0.47) KMT2AMEN1POLBCASP6GSK3B
SCHEMBL24280918 0.78 KMT2A (0.53) KMT2AMEN1POLBCASP6ATM
SCHEMBL24281080 0.75 POLB (0.59) KMT2AMEN1POLBCASP6IDO1
SCHEMBL24281037 0.74 KMT2A (0.51) KMT2AMEN1POLBCASP6ATM
SCHEMBL7840982 0.73 KMT2A (0.67) KMT2AMEN1POLBCASP6ATM

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-117447393-A Preparation method of intermediate of Rayleigh Malun 浙江雅辰药物科技股份有限公司 2024-01-26 CN disclosed