SCHEMBL6776652

SCHEMBL6776652

O=C(O)c1ccc(Oc2ccccn2)cc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 2/20 0.50
IP6K3 Q96PC2 2/20 0.50
IP6K2 Q9UHH9 2/20 0.50
DHODH Q02127 1/20 0.49
PYGL P06737 1/20 0.43
PYGM P11217 1/20 0.43
PTGS2 P35354 1/20 0.42
SCN7A Q01118 5/20 0.42
KCNH2 Q12809 5/20 0.42
DRD1 P21728 2/20 0.41
PPARG P37231 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN8A Q9UQD0 1/20 0.40
EGLN2 Q96KS0 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
NTRK1 P04629 1/20 0.40

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
SCHEMBL6671833 0.87 TDP1 (0.47) IP6K1IP6K3IP6K2DHODHPTGS2
SCHEMBL11686000 0.83 POLB (0.54) DHODHMEN1KMT2APOLBTDP1
SCHEMBL26123507 0.82 DHODH (0.47) IP6K1IP6K3IP6K2DHODHPYGL
SCHEMBL4326301 0.81 POLB (0.55) DHODHMEN1KMT2APOLBTDP1
SCHEMBL20523025 0.79 DHODH (0.47) IP6K1IP6K3IP6K2DHODHPYGL
SCHEMBL12484185 0.79 KMO (0.50) IP6K1IP6K3IP6K2DHODHPYGL
SCHEMBL5974196 0.77 LTA4H (0.52) MEN1KMT2APOLBTDP1
SCHEMBL30362588 0.74 IP6K1 (0.60) IP6K1IP6K3IP6K2DHODHPTGS2
SCHEMBL505405 0.74 IP6K1 (0.60) IP6K1IP6K3IP6K2DHODHPTGS2
SCHEMBL6701301 0.74 SMN1; SMN2 (0.63) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6693123-B2 (4-(3-PYRIDYLAMINOMETHYLENE)-2-PHENYLBENZOYL)-N -METHYLMETHIONINE, METHYL ESTER FOR EXAMPLE; RESTENOSIS, HYPERPLASIA UNIVERSITY OF PITTSBURGH 2004-02-17 US disclosed
EP-0873123-B1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2003-04-09 EP disclosed
US-6310095-B1 INHIBITING OR TREATING CANCER, TREATING INTIMAL HYPERPLASIA ASSOCIATED WITH RESTENOSIS AND ATHEROSCLEROSIS, INHIBITING POST-TRANSLATIONAL MODIFICATION OF ONCOGENIC RAS PROTEIN BY PROTEIN FARNESYLTRANSFERASE AND/OR GERANYLGERANYLTRANSFERASE UNIVERSITY OF PITTSBURGH 2001-10-30 US disclosed
US-6221865-B1 INHIBITORS OF PROTEIN FARNESYLTRANSFERASE AND PROTEIN GERANYLGERANYLTRANSFERASE. UNIVERSITY OF PITTSBURGH 2001-04-24 US disclosed
US-6204293-B1 INHIBITING POST-TRANSLATIONAL MODIFICATION OF THE ONCOGENIC RAS PROTEIN BY PROTEIN FARNESYLTRANSFERASE, PROTEIN GERANYLGERANYLTRANSFERASE, OR BOTH UNIVERSITY OF PITTSBURGH 2001-03-20 US disclosed
EP-0873123-A4 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 1999-02-03 EP disclosed
WO-1998050030-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO disclosed
WO-1998050031-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO disclosed
EP-0873123-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-10-28 EP disclosed
WO-1997017070-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1997-05-15 WO disclosed