SCHEMBL18229762

SCHEMBL18229762

O=C(O)CCc1c2nc(c(CCC(=O)O)c3ccc([nH]3)c(CCC(=O)O)c3nc(cc4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.44
▸ STAT1 P42224 1/20 0.44
▸ EGFR P00533 2/20 0.36
▸ TOP1 P11387 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ APEX1 P27695 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CYCS P99999 3/20 0.35
▸ GPR17 Q13304 3/20 0.34
▸ PRKAG1 P54619 1/20 0.34
▸ PRKAA2 P54646 1/20 0.34
▸ PRKAA1 Q13131 1/20 0.34
▸ PRKAB1 Q9Y478 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ PARP2 Q9UGN5 1/20 0.34

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
SCHEMBL9450931 0.82 STAT3 (0.46) STAT3STAT1EGFRTOP1KDM4E
SCHEMBL18229760 0.81 STAT3 (0.36) STAT3STAT1EGFRCHRM1KDM4E
SCHEMBL5533945 0.81 STAT3 (0.49) STAT3STAT1
SCHEMBL5585185 0.79 STAT3 (0.45) STAT3STAT1
SCHEMBL1945830 0.78 STAT3 (0.47) STAT3STAT1
SCHEMBL4641621 0.77 STAT3 (0.38) STAT3STAT1KDM4EALDH1A1HPGD
SCHEMBL5586170 0.76 STAT3 (0.44) STAT3STAT1
SCHEMBL1944649 0.76 STAT3 (0.45) STAT3STAT1HSD17B10
SCHEMBL4429826 0.76 STAT3 (0.45) STAT3STAT1HSD17B10
SCHEMBL17419209 0.75 STAT3 (0.51) STAT3STAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10900071-B2 Identification of genetic modifications WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2021-01-26 — — US disclosed
US-20190040457-A1 IDENTIFICATION OF GENETIC MODIFICATIONS WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2019-02-07 — — US disclosed
EP-3307755-A1 IDENTIFICATION OF GENETIC MODIFICATIONS Wake Forest University Health Sciences (US) 2018-04-18 — — EP disclosed
WO-2016183289-A1 IDENTIFICATION OF GENETIC MODIFICATIONS WAKE FOREST UNIVERSITY HEALTH SERVICES (US) 2016-11-17 — — WO disclosed
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