SCHEMBL4718577

SCHEMBL4718577

O=c1[nH]c2ccc(S(=O)(=O)N(CCO)CCO)cc2c2cc[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.49
VCAM1 P19320 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 10/20 0.41
ALDH1A1 P00352 6/20 0.41
HSD17B10 Q99714 4/20 0.39
GAA P10253 3/20 0.39
MAPK1 P28482 1/20 0.39
HPGD P15428 2/20 0.38
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.36
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.35
NEK1 Q96PY6 1/20 0.35
USP2 O75604 1/20 0.35

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
Butyric Acid SCHEMBL4155289 0.91 RXFP1 (0.47) RXFP1VCAM1SMN1; SMN2POLBKDM4E
Butyric Acid SCHEMBL4162647 0.83 RXFP1 (0.42) RXFP1VCAM1SMN1; SMN2POLBKDM4E
Butyric Acid SCHEMBL4155200 0.80 RXFP1 (0.40) RXFP1VCAM1SMN1; SMN2POLBKDM4E
Propionic Acid SCHEMBL4162945 0.78 KDM4E (0.47) RXFP1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL3247255 0.78 RXFP1 (0.42) RXFP1VCAM1SMN1; SMN2POLBKDM4E
SCHEMBL8415895 0.78 SMN1; SMN2 (0.62) RXFP1VCAM1SMN1; SMN2POLBKDM4E
Butyric Acid SCHEMBL4155243 0.78 KDM4E (0.39) RXFP1SMN1; SMN2POLBKDM4EALDH1A1
SCHEMBL4714478 0.77 RXFP1 (0.43) RXFP1VCAM1POLBKDM4EALDH1A1
SCHEMBL4717999 0.77 RXFP1 (0.43) RXFP1SMN1; SMN2POLBKDM4EALDH1A1
SCHEMBL4714760 0.77 RXFP1 (0.42) RXFP1KDM4EBRAF

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
EP-1899335-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2008-03-19 EP disclosed
WO-2007003611-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2007-01-11 WO disclosed