SCHEMBL9566901

SCHEMBL9566901

O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(CO)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
TSHR P16473 1/20 0.62
MAPT P10636 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.59
KDM4E B2RXH2 1/20 0.56
KCNK3 O14649 2/20 0.54
KCNK9 Q9NPC2 1/20 0.54
RXFP1 Q9HBX9 2/20 0.54
LCK P06239 4/20 0.53
KIT P10721 3/20 0.53
MAPK14 Q16539 3/20 0.53
KDR P35968 2/20 0.53
CSF1R P07333 1/20 0.53
P2RX1 P51575 1/20 0.53
LMNA P02545 1/20 0.53
KCNQ3 O43525 1/20 0.53
KCNQ2 O43526 1/20 0.53
KCNE1 P15382 1/20 0.53
KCNQ1 P51787 1/20 0.53

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
SCHEMBL9566781 0.86 MEN1 (0.61) KMT2AMEN1TSHRMAPTSMN1; SMN2
SCHEMBL9566801 0.84 MAPT (0.56) KMT2AMEN1TSHRMAPTSMN1; SMN2
SCHEMBL12020926 0.84 MAPT (0.56) KMT2AMEN1TSHRMAPTSMN1; SMN2
SCHEMBL9566838 0.84 MAPT (0.56) KMT2AMEN1TSHRMAPTSMN1; SMN2
SCHEMBL9566839 0.83 MEN1 (0.57) KMT2AMEN1TSHRMAPTSMN1; SMN2
SCHEMBL9566885 0.82 MAPT (0.54) KMT2AMEN1TSHRMAPTSMN1; SMN2
SCHEMBL9566750 0.82 MEN1 (0.54) KMT2AMEN1TSHRMAPTSMN1; SMN2
SCHEMBL13550090 0.82 KMT2A (0.69) KMT2AMEN1TSHRMAPTSMN1; SMN2
SCHEMBL24141032 0.81 MAPT (0.84) KMT2AMEN1TSHRMAPTKCNK3
SCHEMBL9566797 0.81 P4HTM (0.67) KMT2AMEN1MAPTSMN1; SMN2KCNK3

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-0533130-A1 2-Hydroxymethylpyridines, the corresponding pyridine-N-oxides and derivatives thereof, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1993-03-24 EP disclosed