SCHEMBL6537697

SCHEMBL6537697

Nc1cccc2c(=O)cc[nH]c12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.59
KMT2A Q03164 2/20 0.57
HSD17B10 Q99714 3/20 0.56
KDM4E B2RXH2 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PARP1 P09874 5/20 0.53
TDP1 Q9NUW8 3/20 0.53
RECQL P46063 1/20 0.53
POLB P06746 2/20 0.44
JAK2 O60674 1/20 0.43
RPS6KA3 P51812 1/20 0.43
MELK Q14680 1/20 0.43
STK24 Q9Y6E0 1/20 0.43
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
INCENP Q9NQS7 1/20 0.42
ALDH1A1 P00352 3/20 0.41
IMPDH2 P12268 1/20 0.41
CYP3A4 P08684 2/20 0.41
HPGD P15428 2/20 0.41

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
SCHEMBL1245388 0.78 CCR8 (0.61) CCR8KMT2AHSD17B10KDM4ESMN1; SMN2
SCHEMBL11205036 0.77 CCR8 (0.67) CCR8KMT2AHSD17B10KDM4ESMN1; SMN2
SCHEMBL29933981 0.76 KDM4E (0.61) CCR8KMT2AHSD17B10KDM4ESMN1; SMN2
SCHEMBL15371410 0.76 CCR8 (0.59) CCR8KMT2AHSD17B10KDM4ESMN1; SMN2
SCHEMBL15252375 0.76 KDM4E (0.61) CCR8KMT2AHSD17B10KDM4ESMN1; SMN2
SCHEMBL15367385 0.76 CCR8 (0.59) CCR8KMT2AHSD17B10KDM4ESMN1; SMN2
SCHEMBL19318056 0.75 CCR8 (1.00) CCR8KMT2AHSD17B10KDM4ESMN1; SMN2
SCHEMBL30774416 0.75 CCR8 (1.00) CCR8KMT2AHSD17B10KDM4ESMN1; SMN2
SCHEMBL6363005 0.74 HSD17B10 (0.59) CCR8KMT2AHSD17B10KDM4ESMN1; SMN2
SCHEMBL6368302 0.74 CCR8 (0.57) CCR8KMT2AHSD17B10KDM4ESMN1; SMN2

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-0876345-B1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO (JP) 2004-08-18 EP disclosed
US-6008230-A TREATING BONE DISEASES CAUSED BY ABNORMAL BONE METABOLISM IN HUMAN BEING OR ANIMALS AS THE INHIBITORS OF BONE RESORPTION OR THE INHIBITORS OF BONE METASTASIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed