SCHEMBL8577371

SCHEMBL8577371

O=C1NCCN1C1CC(Nc2ccc(F)c(Cl)c2)CC[N]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 2/20 0.38
MALT1 Q9UDY8 7/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
EGFR P00533 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CDK2 P24941 1/20 0.35
MAPT P10636 1/20 0.35
NR1I2 O75469 1/20 0.35
AHR P35869 1/20 0.35
ABL1 P00519 1/20 0.35
RECQL P46063 1/20 0.35
RIN1 Q13671 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
ALOX12 P18054 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL8577384 0.85 MALT1 (0.37) MAPKAPK2MALT1KMT2AALDH1A1MEN1
SCHEMBL8575787 0.83 KMT2A (0.40) MALT1KMT2AALDH1A1MEN1EGFR
SCHEMBL8576088 0.82 MAPKAPK2 (0.41) MAPKAPK2MALT1KMT2AALDH1A1MEN1
SCHEMBL8574961 0.80 MAPT (0.41) MALT1KMT2AALDH1A1MEN1EGFR
SCHEMBL8575750 0.79 MAPT (0.41) MALT1KMT2AALDH1A1MEN1EGFR
SCHEMBL8577103 0.78 KMT2A (0.40) MALT1KMT2AALDH1A1MEN1EGFR
SCHEMBL8574333 0.78 EGFR (0.41) KMT2AALDH1A1MEN1EGFRMAPT
SCHEMBL8573924 0.78 CDK2 (0.42) MAPKAPK2MALT1KMT2AALDH1A1MEN1
SCHEMBL8573986 0.78 LMNA (0.45) MAPKAPK2MALT1KMT2AALDH1A1MEN1
SCHEMBL8574967 0.77 ALDH1A1 (0.38) MALT1KMT2AALDH1A1MEN1EGFR

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
US-5821240-A ENZYME INHIBITORS, SIGNAL INHIBITORS FOR ANTIINFLAMMATORY AGENTS, ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS AND HORMONE INHIBITORS DR. KARL THOMAE GMBH (DE) 1998-10-13 US disclosed