SCHEMBL6660995

SCHEMBL6660995

O=C1N=c2ccccc2=C1CF

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.37
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
POLB P06746 3/20 0.37
LMNA P02545 2/20 0.37
PKM P14618 2/20 0.37
MAPK10 P53779 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TGM2 P21980 1/20 0.36
HSP90AA1 P07900 1/20 0.36
TLR9 Q9NR96 1/20 0.36
ATM Q13315 1/20 0.35
CCR6 P51684 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NLRP3 Q96P20 2/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 2/20 0.32
CGAS Q8N884 1/20 0.31

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
SCHEMBL3520478 0.80 ATM (0.38) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL28576366 0.80 MAPT (0.41) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL9159521 0.80 MAPT (0.37) MAPTALDH1A1KMT2AMEN1POLB
Hydrochloric Acid SCHEMBL29143517 0.78 MAPT (0.36) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL29012480 0.77 MAPT (0.39) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL10502356 0.77 ATM (0.39) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL22410854 0.77 MAPT (0.36) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL29012467 0.77 MAPT (0.36) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL31490531 0.76 MAPT (0.35) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL8521194 0.76 KMT2A (0.44) MAPTALDH1A1KMT2AMEN1POLB

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-1441722-A2 MODULATORS OF KCNQ POTASSIUM CHANNELS AND USE THEREOF IN TREATING MIGRAINE AND MECHANISTICALLY RELATED DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-04 EP disclosed
WO-2002072088-A2 MODULATORS OF KCNQ POTASSIUM CHANNELS AND USE THEREOF IN TREATING MIGRAINE AND MECHANISTICALLY RELATED DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-09-19 WO disclosed