SCHEMBL9697643

SCHEMBL9697643

COc1ccccc1Nc1nc(F)nc(F)n1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.66
ALDH1A1 P00352 4/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
KDM4E B2RXH2 1/20 0.66
KMT2A Q03164 1/20 0.66
GAA P10253 2/20 0.56
HPGD P15428 1/20 0.56
EGFR P00533 1/20 0.56
NPSR1 Q6W5P4 2/20 0.55
RAB9A P51151 5/20 0.54
NPC1 O15118 4/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
POLB P06746 1/20 0.51
LMNA P02545 2/20 0.51
TP53 P04637 2/20 0.51
GBA1 P04062 2/20 0.50
LRRK2 Q5S007 1/20 0.50
AURKA O14965 1/20 0.48
MAPK1 P28482 1/20 0.47

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
SCHEMBL11813903 0.87 MAPT (0.83) MAPTALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL29609022 0.79 MAPT (0.93) MAPTALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL6237782 0.79 MAPT (0.93) MAPTALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL10429487 0.78 MAPT (0.64) MAPTALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL30260564 0.78 LRRK2 (0.56) MAPTALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL3191755 0.77 MAPT (0.69) MAPTALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL20004385 0.77 EGFR (0.71) MAPTALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL9483332 0.77 NPSR1 (0.54) MAPTALDH1A1SMN1; SMN2KMT2ANPSR1
SCHEMBL20355106 0.76 HTT (0.60) MAPTALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL16928184 0.76 MAPT (0.65) MAPTALDH1A1SMN1; SMN2KDM4EKMT2A

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-5116957-A REACTIVE AZO DYESTUFFS HAVING A FLUOROTRIAZINE GROUP AND IMPROVED FIXATION PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 1992-05-26 US disclosed