SCHEMBL988796

SCHEMBL988796

Cc1c(N)cc(NC(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.44
MAPT P10636 6/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 4/20 0.43
TSHR P16473 1/20 0.41
DHODH Q02127 1/20 0.41
RECQL P46063 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 1/20 0.40
HCAR3 P49019 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL988797 1.00 LMNA (0.44) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2933889 0.89 HTT (0.56) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL988312 0.88 LMNA (0.50) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL988023 0.83 ALDH1A1 (0.60) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2169885 0.79 MAPT (0.59) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2169236 0.79 TSHR (0.53) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2169225 0.79 TSHR (0.53) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2169882 0.79 MAPT (0.59) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2902973 0.77 LMNA (0.60) LMNAMAPTMEN1KMT2AMAPK1
SCHEMBL27612062 0.74 RAB9A (0.48) LMNAMAPTSMN1; SMN2MEN1KMT2A

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-2011008788-A1 FLUORO-SUBSTITUTED COMPOUNDS AS KINASE INHIBITORS AND METHODS OF USE THEREOF ZHANG DAWEI (US) 2011-01-20 WO disclosed