SCHEMBL8008740

SCHEMBL8008740

C=C(c1ccc(NC(=O)c2ccc(S(C)(=O)=O)c(N)c2)cc1S(=O)(=O)O)c1ccc(NC(=O)c2ccc(S(C)(=O)=O)c(N)c2)cc1S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
LMNA P02545 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CASP6 P55212 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RAD51 Q06609 1/20 0.36
USP28 Q96RU2 1/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
TIMP3 P35625 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL8019501 0.83 ADORA3 (0.56) ENPP2ADORA3ADORA2AADORA2BADORA1
SCHEMBL7667762 0.83 ENPP2 (0.54) ENPP2ADORA3ADORA2AADORA2BADORA1
SCHEMBL7667811 0.83 ENPP2 (0.54) ENPP2ADORA3ADORA2AADORA2BADORA1
SCHEMBL8021340 0.83 VCAM1 (0.55) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL8008341 0.81 MEN1 (0.45) ENPP2ADORA3ADORA2AADORA2BADORA1
SCHEMBL8021833 0.77 ADORA3 (0.43) ENPP2ADORA3ADORA2AADORA2BADORA1
SCHEMBL9359160 0.75 ENPP2 (0.57) ENPP2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8018710 0.74 LMNA (0.43) ENPP2LMNAALDH1A1MEN1KMT2A
SCHEMBL10800759 0.73 NPC1 (0.57) ENPP2ALDH1A1CASP6CTDSP1MEN1
SCHEMBL11588532 0.72 ENPP2 (0.44) ENPP2LMNAALDH1A1CASP6CTDSP1

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-2000058277-A1 ARYL SULFONIC ACIDS AND DERIVATIVES AS FSH ANTAGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-10-05 WO claimed
WO-2000058277-A1 ARYL SULFONIC ACIDS AND DERIVATIVES AS FSH ANTAGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-10-05 WO disclosed