SCHEMBL6009229

SCHEMBL6009229

C=CCc1c2nc(c(-c3ccccn3)c3ccc(cc4nc(cc5ccc1[nH]5)C=C4)[nH]3)C=C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.45
▸ STAT1 P42224 1/20 0.45
▸ CBFB Q13951 11/20 0.32
▸ KDM4E B2RXH2 4/20 0.32
▸ NPC1 O15118 4/20 0.32
▸ RAB9A P51151 4/20 0.32
▸ SMN1; SMN2 Q16637 4/20 0.32
▸ LMNA P02545 3/20 0.32
▸ PKM P14618 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SLC2A1 P11166 1/20 0.32
▸ METAP2 P50579 6/20 0.32
▸ METAP1 P53582 6/20 0.32
▸ HPGD P15428 3/20 0.32
▸ MTOR P42345 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ PDE4B Q07343 1/20 0.31

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
SCHEMBL9582368 0.87 STAT3 (0.57) STAT3STAT1CBFBKDM4ENPC1
SCHEMBL3522520 0.86 STAT3 (0.47) STAT3STAT1CBFBKDM4ENPC1
SCHEMBL9960467 0.85 STAT3 (0.42) STAT3STAT1
SCHEMBL460724 0.83 STAT3 (0.59) STAT3STAT1CBFBKDM4ENPC1
SCHEMBL3509631 0.82 STAT3 (0.44) STAT3STAT1
SCHEMBL6009235 0.81 NPC1 (0.35) STAT3STAT1CBFBKDM4ENPC1
SCHEMBL3518268 0.77 STAT3 (0.43) STAT3STAT1CBFBKDM4ENPC1
Acetoacetic Acid SCHEMBL9748613 0.73 STAT3 (0.48) STAT3STAT1CBFBKDM4ENPC1
SCHEMBL432185 0.72 KDM4E (0.46) KDM4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL29822398 0.72 KDM4E (0.46) KDM4ENPC1RAB9ASMN1; SMN2LMNA

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-1513537-A4 SUBSTITUTED PORPHYRINS UNIV DUKE (US) 2006-09-06 — — EP disclosed
EP-1513537-A1 SUBSTITUTED PORPHYRINS DUKE UNIVERSITY (US) 2005-03-16 — — EP disclosed
WO-2003103680-A1 SUBSTITUTED PORPHYRINS DUKE UNIVERSITY (US) 2003-12-18 — — WO disclosed
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