SCHEMBL5807668

SCHEMBL5807668

Cc1cc(CC(=O)O)n(-c2cccc(F)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MAPT P10636 3/20 0.44
NOTUM Q6P988 1/20 0.43
PTGS2 P35354 1/20 0.42
P2RX7 Q99572 1/20 0.42
NTRK1 P04629 1/20 0.42
MAPK14 Q16539 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
TRPV1 Q8NER1 3/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
LMNA P02545 1/20 0.40
RIPK1 Q13546 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
SCHEMBL5806384 0.86 NTRK1 (0.55) KMT2AMAPTNTRK1ALDH1A1HTT
SCHEMBL5804750 0.85 ALDH1A1 (0.53) KMT2AMAPTNTRK1ALDH1A1HTT
SCHEMBL5806826 0.85 MAPT (0.49) KMT2AMAPTPTGS2NTRK1ALDH1A1
SCHEMBL5804612 0.83 HSD11B1 (0.47) KMT2ANOTUMALDH1A1LMNA
SCHEMBL6413900 0.79 KMT2A (0.54) KMT2AMAPTNOTUMNTRK1ALDH1A1
SCHEMBL5808049 0.78 NAPRT (0.45) KMT2ANTRK1ALDH1A1HTTPOLB
SCHEMBL3072718 0.78 NR3C2 (0.48) KMT2AMAPTNOTUMPTGS2NTRK1
SCHEMBL5807865 0.77 PTGS1 (0.52) KMT2AMAPTNOTUMPTGS2P2RX7
SCHEMBL31522204 0.76 KMT2A (0.53) KMT2AMAPTNOTUMNTRK1ALDH1A1
SCHEMBL15428579 0.75 KMT2A (0.54) KMT2AMAPTALDH1A1

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-2006075955-A1 PYRAZOLYL ACYLSULFONAMIDE DERIVATIVES AS ENDOTHELIN CONVERTING ENZYME INHIBITORS AND USEFUL IN THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE ASTRAZENECA AB (SE) 2006-07-20 WO disclosed
WO-2006075955-A1 PYRAZOLYL ACYLSULFONAMIDE DERIVATIVES AS ENDOTHELIN CONVERTING ENZYME INHIBITORS AND USEFUL IN THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE ASTRAZENECA AB (SE) 2006-07-20 WO disclosed