SCHEMBL6512765

SCHEMBL6512765

CCCCCCCCCC(CCCCCCCC)c1cccc2nc3ccccc3cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 8/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ HPGD P15428 5/20 0.43
▸ GLA P06280 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ GAA P10253 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ PTBP1 P26599 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ RCE1 Q9Y256 1/20 0.43
▸ PPARG P37231 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ CYSLTR2 Q9NS75 2/20 0.41
▸ CYSLTR1 Q9Y271 2/20 0.41
▸ MAPK1 P28482 2/20 0.40
▸ GPBAR1 Q8TDU6 2/20 0.40
▸ CYP3A4 P08684 2/20 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
SCHEMBL1223108 0.92 ALDH1A1 (0.45) TLR8ALDH1A1HPGDGLAKDM4E
SCHEMBL27715914 0.82 CYSLTR2 (0.42) ALDH1A1HPGDKDM4ELMNAKMT2A
SCHEMBL11379720 0.81 CYSLTR2 (0.41) ALDH1A1HPGDKDM4ELMNAKMT2A
SCHEMBL10580858 0.81 KDM4E (0.46) ALDH1A1HPGDKDM4EGAALMNA
SCHEMBL10580092 0.81 KDM4E (0.46) ALDH1A1HPGDKDM4EGAALMNA
SCHEMBL10763023 0.81 KDM4E (0.46) ALDH1A1HPGDKDM4EGAALMNA
SCHEMBL10583531 0.81 KDM4E (0.46) ALDH1A1HPGDKDM4EGAALMNA
SCHEMBL10580574 0.81 KDM4E (0.46) ALDH1A1HPGDKDM4EGAALMNA
SCHEMBL10580483 0.81 KDM4E (0.46) ALDH1A1HPGDKDM4EGAALMNA
SCHEMBL10580276 0.81 KDM4E (0.46) ALDH1A1HPGDKDM4EGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004061416-A2 METHODS FOR ATTACHING MOLECULES GENORX, INC. (US) 2004-07-22 — — WO claimed
US-20040048241-A1 Methods for attaching molecules GENORX, INC. 2004-03-11 — — US claimed
WO-2005108612-A2 NANOSCALE BIOSENSOR DEVICE, SYSTEM AND TECHNIQUE GENORX, INC. (US) 2005-11-17 — — WO disclosed
WO-2004061133-A1 ASSOCIATION OF MOLECULES WITH ELECTRODES OF AN ARRAY OF ELECTRODES GENORX, INC. (US) 2004-07-22 — — WO disclosed
WO-2004061416-A2 METHODS FOR ATTACHING MOLECULES GENORX, INC. (US) 2004-07-22 — — WO disclosed
US-20040048241-A1 Methods for attaching molecules GENORX, INC. 2004-03-11 — — US disclosed
US-20030224387-A1 Association of molecules with electrodes of an array of electrodes GENORX, INC. 2003-12-04 — — US disclosed
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