SCHEMBL8873027

SCHEMBL8873027

CC(C)(C)C(=O)Nc1nc2ccc(CC(C=O)c3ccccc3)cc2c(=O)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 3/20 0.37
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 5/20 0.36
HPGD P15428 1/20 0.36
KDM4E B2RXH2 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADORA1 P30542 1/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
XBP1 P17861 1/20 0.35

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
SCHEMBL8872792 0.89 SMN1; SMN2 (0.39) SMN1; SMN2MEN1KMT2APOLBTSHR
SCHEMBL29850888 0.80 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2APOLBTSHR
SCHEMBL409745 0.80 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2APOLBTSHR
SCHEMBL13258760 0.79 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2APOLBTSHR
SCHEMBL8873096 0.77 QTRT1 (0.49) TYMS
SCHEMBL15290198 0.74 SMN1; SMN2 (0.49) SMN1; SMN2MEN1KMT2APOLBTSHR
SCHEMBL29850712 0.74 SMN1; SMN2 (0.49) SMN1; SMN2MEN1KMT2APOLBTSHR
SCHEMBL9823085 0.72 MMP13 (0.41) SMN1; SMN2MEN1KMT2APOLBTSHR
SCHEMBL9823173 0.72 CTNNB1 (0.36) SMN1; SMN2MEN1KMT2APOLBTSHR
SCHEMBL9823392 0.72 DHFR (0.40) SMN1; SMN2MEN1KMT2APOLBTSHR

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-5593999-A Non-classical folate analogue inhibitors of glycinamide ribonucleotide formyltransferase (GARFT) NAIR MADHAVAN G (US) 1997-01-14 US disclosed