SCHEMBL8148873

SCHEMBL8148873

NCC(=O)Nc1ccc(-c2ccc(C(=O)O)cn2)nc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P4HTM Q9NXG6 5/20 0.59
▸ P4HA1 P13674 3/20 0.59
▸ LDHA P00338 2/20 0.47
▸ PTPN1 P18031 3/20 0.45
▸ GABRP O00591 1/20 0.44
▸ GABRD O14764 1/20 0.44
▸ GABRA1 P14867 1/20 0.44
▸ GABRB1 P18505 1/20 0.44
▸ GABRG2 P18507 1/20 0.44
▸ GABRB3 P28472 1/20 0.44
▸ GABRA5 P31644 1/20 0.44
▸ GABRA3 P34903 1/20 0.44
▸ GABRA2 P47869 1/20 0.44
▸ GABRB2 P47870 1/20 0.44
▸ GABRA4 P48169 1/20 0.44
▸ GABRE P78334 1/20 0.44
▸ GABRA6 Q16445 1/20 0.44
▸ GABRG1 Q8N1C3 1/20 0.44
▸ GABRG3 Q99928 1/20 0.44
▸ GABRQ Q9UN88 1/20 0.44

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
SCHEMBL1663647 0.79 CA2 (0.58) LTA4HPTPN11CA1CA2TERT
SCHEMBL25733687 0.78 P4HTM (0.58) P4HTMP4HA1LTA4HCA1CA2
SCHEMBL21711524 0.77 SMN1; SMN2 (0.50) PTPN1CA1CA2
SCHEMBL29397057 0.77 P4HTM (1.00) P4HTMP4HA1LDHAGABRPGABRD
SCHEMBL68560 0.77 P4HTM (1.00) P4HTMP4HA1LDHAGABRPGABRD
SCHEMBL29683317 0.77 P4HTM (1.00) P4HTMP4HA1LDHAGABRPGABRD
SCHEMBL18653622 0.77 PTPN1 (0.45) PTPN1LTA4HPTPN2PTPN6PTPN11
SCHEMBL18653596 0.76 PTPN1 (0.42) PTPN1LTA4HPTPN2PTPN6PTPN11
SCHEMBL24224793 0.75 HIF1A (0.41) PTPN1LTA4HPTPN2PTPN6PTPN11
SCHEMBL16369588 0.75 TP53 (0.47) P4HTMPTPN1LTA4HPTPN2WNT3A

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
US-6083758-A CONTACTING ARRAY OF PEPTIDES, INCLUDING BINDING OR SIGNALING GROUP AND COUPLED TO A SOLID PHASE SUPPORT, WITH SOLUTION CONTAINING KNOWN CONCENTRATION OF METAL AND MONITORING FLUORESCENCE OF EACH OF THE PEPTIDES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2000-07-04 — — US claimed
US-6083758-A CONTACTING ARRAY OF PEPTIDES, INCLUDING BINDING OR SIGNALING GROUP AND COUPLED TO A SOLID PHASE SUPPORT, WITH SOLUTION CONTAINING KNOWN CONCENTRATION OF METAL AND MONITORING FLUORESCENCE OF EACH OF THE PEPTIDES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2000-07-04 — — US disclosed
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