SCHEMBL4650163

SCHEMBL4650163

CCOC(=O)c1cc2c(N)ccc(Br)c2n1Cc1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
F10 P00742 4/20 0.46
MAPT P10636 4/20 0.44
KDM4E B2RXH2 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.42
PLA2G2A P14555 3/20 0.42
NOD2 Q9HC29 1/20 0.41
NOD1 Q9Y239 1/20 0.41
ALOX5 P09917 2/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL4649306 0.90 KMT2A (0.51) KMT2ASMN1; SMN2MEN1LMNAHPGD
SCHEMBL4653186 0.90 KMT2A (0.51) KMT2ASMN1; SMN2MEN1LMNAHPGD
SCHEMBL4649686 0.89 KMT2A (0.50) KMT2ASMN1; SMN2MEN1LMNAHPGD
SCHEMBL4650063 0.85 KMT2A (0.43) KMT2ASMN1; SMN2MEN1LMNAHPGD
SCHEMBL4653221 0.83 F10 (0.59) KMT2ASMN1; SMN2MEN1LMNAHPGD
SCHEMBL4086613 0.77 MAPT (0.50) KMT2ASMN1; SMN2MEN1LMNAHPGD
SCHEMBL4653080 0.74 F10 (0.45) KMT2ASMN1; SMN2MEN1LMNAHPGD
SCHEMBL6091573 0.74 NOD2 (0.56) KMT2ASMN1; SMN2MEN1LMNAHPGD
SCHEMBL3296461 0.74 NOD2 (0.59) KMT2ASMN1; SMN2MEN1LMNAHPGD
SCHEMBL6358543 0.74 F10 (0.61) KMT2ASMN1; SMN2MEN1LMNAF10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904487-A2 INDOLE DERIVATIVES FOR THE TREATMENT OF TUBERCULOSIS AstraZeneca AB (SE) 2008-04-02 EP disclosed
WO-2006067392-A2 INDOLE DERIVATIVES FOR THE TREATMENT OF TUBERCULOSIS ASTRAZENECA AB (SE) 2006-06-29 WO disclosed