SCHEMBL1401555

SCHEMBL1401555

[O]c1ccccc1-c1cc2ccccc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.62
CHEK1 O14757 1/20 0.62
KDM4E B2RXH2 5/20 0.57
MAPT P10636 5/20 0.57
RAB9A P51151 4/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
HPGD P15428 4/20 0.57
ALDH1A1 P00352 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
NPC1 O15118 4/20 0.55
AURKA O14965 2/20 0.51
POLB P06746 2/20 0.50
HSD17B10 Q99714 2/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
ALOX15 P16050 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL5051826 0.86 KDR (0.68) KDRCHEK1KDM4EMAPTRAB9A
Methane SCHEMBL28704887 0.84 KDR (0.66) KDRCHEK1KDM4EMAPTRAB9A
Benzene SCHEMBL27629233 0.84 RAB9A (0.69) KDRCHEK1KDM4EMAPTRAB9A
SCHEMBL10176240 0.80 KDR (0.61) KDRCHEK1KDM4EMAPTRAB9A
SCHEMBL374022 0.79 RAB9A (0.74) KDRCHEK1KDM4EMAPTRAB9A
SCHEMBL29631691 0.79 RAB9A (0.74) KDRCHEK1KDM4EMAPTRAB9A
SCHEMBL6161663 0.78 KDR (0.59) KDRCHEK1KDM4EMAPTRAB9A
SCHEMBL31544442 0.78 KDR (0.59) KDRCHEK1KDM4EMAPTRAB9A
SCHEMBL31544439 0.78 KDR (0.59) KDRCHEK1KDM4EMAPTRAB9A
SCHEMBL31544438 0.78 KDR (0.59) KDRCHEK1KDM4EMAPTRAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497452-B1 METHODS FOR MEASURING ENZYME ACTIVITY GE HEALTHCARE UK LTD (GB) 2011-03-02 EP disclosed
EP-1497452-A2 METHODS FOR MEASURING ENZYME ACTIVITY Amersham Biosciences UK Limited (GB) 2005-01-19 EP disclosed
WO-2003089663-A2 METHODS FOR MEASURING ENZYME ACTIVITY AMERSHAM BIOSCIENCES UK LIMITED (GB) 2003-10-30 WO disclosed