SCHEMBL4649686

SCHEMBL4649686

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
F10 P00742 2/20 0.47
MAPT P10636 7/20 0.45
ALDH1A1 P00352 4/20 0.44
POLB P06746 2/20 0.44
HTT P42858 2/20 0.44
ALOX5 P09917 2/20 0.43
KDM4E B2RXH2 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPK1 P28482 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 1/20 0.43
ATM Q13315 1/20 0.43
PLA2G2A P14555 3/20 0.42
NOD2 Q9HC29 1/20 0.42
NOD1 Q9Y239 1/20 0.42

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 0.91 KMT2A (0.51) KMT2ASMN1; SMN2MEN1LMNAHPGD
SCHEMBL4653186 0.91 KMT2A (0.51) KMT2ASMN1; SMN2MEN1LMNAHPGD
SCHEMBL4650163 0.89 KMT2A (0.49) KMT2ASMN1; SMN2MEN1LMNAHPGD
SCHEMBL4650061 0.84 KMT2A (0.44) KMT2ASMN1; SMN2MEN1LMNAHPGD
SCHEMBL4653221 0.84 F10 (0.59) KMT2ASMN1; SMN2MEN1LMNAHPGD
SCHEMBL4653080 0.75 F10 (0.45) KMT2ASMN1; SMN2MEN1LMNAHPGD
SCHEMBL6358543 0.75 F10 (0.61) KMT2ASMN1; SMN2MEN1LMNAF10
SCHEMBL6307843 0.74 NOD2 (0.74) KMT2ASMN1; SMN2MEN1F10MAPT
SCHEMBL4650063 0.74 KMT2A (0.43) KMT2ASMN1; SMN2MEN1LMNAHPGD
SCHEMBL4086613 0.73 MAPT (0.50) KMT2ASMN1; SMN2MEN1LMNAHPGD

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