SCHEMBL9777985

SCHEMBL9777985

O=P(O)(O)COc1ccc(C(O)CNS(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.46
ADRB3 P13945 3/20 0.46
CA2 P00918 3/20 0.45
MMP2 P08253 3/20 0.45
CA12 O43570 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
CA1 P00915 2/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
MMP8 P22894 2/20 0.42
MMP1 P03956 2/20 0.42
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
XBP1 P17861 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SGMS1 Q86VZ5 2/20 0.41
AR P10275 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
SCHEMBL9777945 0.83 ADRB2 (0.48) ADRB2ADRB3CA2CA1KMT2A
SCHEMBL9777989 0.82 TBXA2R (0.49) ADRB2ADRB3CA2CA1KMT2A
SCHEMBL2840998 0.80 PGR (0.60) CA2MMP2CA12CA9CA1
SCHEMBL10591996 0.79 CA1 (0.54) ADRB2ADRB3CA2MMP2CA1
SCHEMBL10591985 0.79 CA1 (0.54) CA2MMP2CA1KMT2AMEN1
SCHEMBL9778016 0.78 SMN1; SMN2 (0.58) ADRB3ALDH1A1NPSR1SMN1; SMN2GAA
SCHEMBL24590667 0.77 CA1 (0.56) CA2CA1KMT2AMEN1ALDH1A1
SCHEMBL28910541 0.77 MAPT (0.58) ADRB2ADRB3CA2CA1KMT2A
SCHEMBL4651749 0.75 PTPN1 (0.58) ADRB2ADRB3CA2MMP2CA9
SCHEMBL9777998 0.73 TBXA2R (0.64) CA2CA1KMT2AMEN1ALDH1A1

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-4999345-A Anticoagulants BASF AKTIENGESELLSCHAFT (DE) 1991-03-12 US disclosed