SCHEMBL6407119

SCHEMBL6407119

Nc1nc(C(F)(F)F)nc2ccc(C(=O)O)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
IP6K1 Q92551 2/20 0.42
IP6K3 Q96PC2 2/20 0.42
IP6K2 Q9UHH9 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
PLA2G2D Q9UNK4 1/20 0.41
CCNE2 O96020 3/20 0.40
CCNE1 P24864 3/20 0.40
CDK2 P24941 3/20 0.40
PLAU P00749 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
MITF O75030 1/20 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
SCHEMBL6407118 0.82 SMN1; SMN2 (0.48) SMN1; SMN2MEN1KMT2AL3MBTL1IP6K1
SCHEMBL4753528 0.79 TDP1 (0.51) KMT2ATDP1POLBMAPT
SCHEMBL4303881 0.75 TLR7 (0.61) SMN1; SMN2MEN1KMT2AL3MBTL1IP6K1
SCHEMBL27180283 0.73 GRIN2D (0.51) SMN1; SMN2MEN1KMT2AL3MBTL1IP6K1
SCHEMBL31419283 0.73 SMN1; SMN2 (0.48) SMN1; SMN2MEN1KMT2AIP6K1IP6K3
SCHEMBL1285218 0.72 CSNK2A1 (0.54) MEN1KMT2AL3MBTL1CCNE2CCNE1
SCHEMBL162372 0.72 GAA (0.62) CCNE2CCNE1CDK2RAB9AALDH1A1
SCHEMBL29500202 0.72 GAA (0.62) CCNE2CCNE1CDK2RAB9AALDH1A1
SCHEMBL1285707 0.71 KDM4E (0.55) SMN1; SMN2MEN1KMT2AL3MBTL1TDP1
Hydrochloric Acid SCHEMBL30010992 0.70 GAA (0.60) SMN1; SMN2CCNE2CCNE1CDK2NPC1

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
US-20050130251-A1 Reagent for determination of hydrogen peroxide KYOWA MEDEX CO., LTD. (JP) 2005-06-16 US disclosed
EP-1424554-A1 REAGENT FOR DETERMINING HYDROGEN PEROXIDE KYOWA MEDEX CO., LTD. (JP) 2004-06-02 EP disclosed