SCHEMBL19342014

SCHEMBL19342014

CCOC(=O)/C(C)=N/Nc1ccc(Cl)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ABCB1 P08183 1/20 0.44
KYAT1 Q16773 3/20 0.44
MAPT P10636 7/20 0.43
GAA P10253 3/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 2/20 0.40

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
SCHEMBL4395363 1.00 MEN1 (0.44) MEN1KMT2AABCB1KYAT1MAPT
SCHEMBL22621727 0.90 TSHR (0.50) MEN1KMT2AABCB1KYAT1MAPT
SCHEMBL19341959 0.90 TSHR (0.50) MEN1KMT2AABCB1KYAT1MAPT
SCHEMBL4408498 0.90 TSHR (0.50) MEN1KMT2AABCB1KYAT1MAPT
SCHEMBL6141984 0.88 POLB (0.54) MEN1KMT2AABCB1KYAT1MAPT
SCHEMBL16855424 0.88 POLB (0.54) MEN1KMT2AABCB1KYAT1MAPT
SCHEMBL6141981 0.88 POLB (0.54) MEN1KMT2AABCB1KYAT1MAPT
SCHEMBL22760545 0.88 HPGD (0.48) MEN1KMT2AABCB1KYAT1MAPT
SCHEMBL4406573 0.88 HPGD (0.48) MEN1KMT2AABCB1KYAT1MAPT
SCHEMBL23367356 0.84 MEN1 (0.42) MEN1KMT2AABCB1KYAT1MAPT

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
WO-2017156177-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-09-14 WO disclosed
WO-2017156181-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-09-14 WO disclosed