SCHEMBL8347159

SCHEMBL8347159

CSc1nc(-c2ccccc2F)nc(Cl)c1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
MEN1 O00255 8/20 0.49
KMT2A Q03164 8/20 0.49
KDM4E B2RXH2 5/20 0.49
HPGD P15428 4/20 0.49
MAPT P10636 3/20 0.49
GALR3 O60755 1/20 0.49
HIF1A Q16665 1/20 0.49
NPSR1 Q6W5P4 2/20 0.45
TSHR P16473 3/20 0.42
HTT P42858 2/20 0.42
GLA P06280 1/20 0.42
DHPS P49366 1/20 0.40
ADORA1 P30542 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ADORA2B P29275 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSD17B10 Q99714 5/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 2/20 0.39

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
SCHEMBL8382994 0.80 NPSR1 (0.59) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL4767221 0.78 HPGD (0.47) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL8348946 0.76 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL31156489 0.73 KMT2A (0.58) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL6445364 0.73 ADORA1 (0.65) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL8347394 0.72 KMT2A (0.61) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL10379122 0.72 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL15955611 0.71 KMT2A (0.56) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL4787898 0.71 FOS (0.44) ALDH1A1TSHRHSD17B10TAS1R3TAS1R1
SCHEMBL9640969 0.69 KMT2A (0.53) ALDH1A1MEN1KMT2AKDM4EHPGD

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
WO-2004024159-A1 INHIBITORS OF TFGβ SCIOS INC. (US) 2004-03-25 WO disclosed