SCHEMBL7474960

SCHEMBL7474960

O=[N+]([O-])c1cc2c(NCCc3ccccc3F)ncnc2cc1N1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR6 P50406 5/20 0.41
EGFR P00533 2/20 0.41
HTR1A P08908 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
PRKCQ Q04759 1/20 0.40
MAPK1 P28482 1/20 0.39
WDR5 P61964 1/20 0.39
KMT2A Q03164 1/20 0.39
BRD4 O60885 1/20 0.38
ERBB2 P04626 1/20 0.38
ERBB4 Q15303 1/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 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
SCHEMBL7471400 0.95 MAPT (0.42) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL7461647 0.91 EGFR (0.48) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL7468426 0.90 WDR5 (0.42) MAPTLMNAALDH1A1HTR6EGFR
SCHEMBL7466158 0.88 HTR6 (0.55) MAPTLMNAALDH1A1SMN1; SMN2HTR6
SCHEMBL7464822 0.87 ACHE (0.46) MAPTALDH1A1SMN1; SMN2HTR6EGFR
SCHEMBL7461677 0.87 HTR1A (0.46) LMNAHTR6EGFRHTR1ASLC6A2
SCHEMBL7469830 0.87 HTR6 (0.44) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL7469384 0.86 HTT (0.46) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL7470488 0.85 HTR6 (0.44) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL7467406 0.85 MAPT (0.44) MAPTLMNAGAAALDH1A1SMN1; SMN2

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
EP-1229025-A1 NOVEL QUINAZOLINE DERIVATIVES Japan Energy Corporation (JP) 2002-08-07 EP disclosed