SCHEMBL7528065

SCHEMBL7528065

CCCCCCCCc1ccc2c(c1)nc(F)c1cc(OCCCCCC)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.41
CYP3A4 P08684 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CASP1 P29466 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLCO1B3 Q9NPD5 1/20 0.41
SLCO1B1 Q9Y6L6 1/20 0.41
HTR1B P28222 8/20 0.40
HTR1A P08908 7/20 0.40
HTR1D P28221 7/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 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
SCHEMBL7515612 0.89 CYP3A4 (0.41) MAPK1CYP3A4MEN1KMT2AUSP2
SCHEMBL7519021 0.86 S1PR1 (0.37) MAPK1CYP3A4MEN1KMT2AUSP2
SCHEMBL7519026 0.86 S1PR1 (0.37) MAPK1CYP3A4MEN1KMT2AUSP2
SCHEMBL7519018 0.86 S1PR1 (0.37) MAPK1CYP3A4MEN1KMT2AUSP2
SCHEMBL7519044 0.84 NR5A1 (0.51) MEN1KMT2AALDH1A1HTR1BMAPT
SCHEMBL7525065 0.84 MAPT (0.47) MAPK1CYP3A4MEN1KMT2AHTR1B
SCHEMBL7522690 0.82 HTR1B (0.38) MAPK1CYP3A4MEN1KMT2AHTR1B
SCHEMBL7517920 0.82 MAPT (0.50) LMNAHTR1BMAPTTP53
SCHEMBL7517995 0.81 CYP3A4 (0.49) CYP3A4MEN1KMT2AUSP2ALDH1A1
SCHEMBL7523369 0.79 EIF4A1 (0.41) CYP3A4ALDH1A1LMNASMN1; SMN2HTR1B

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
EP-0946513-B1 DERIVATIVES OF 6-FLUOROPHENANTHRIDINE FOR LIQUID CRYSTAL MIXTURES AVENTIS RES & TECH GMBH & CO (DE) 2002-01-30 EP disclosed
US-6120703-A Derivatives of 6-fluorophenanthridine for liquid crystal mixtures AVENTIS RESEARCH & TECHNOLOGIES DEUTSCHLAND GMBH & CO. KG (DE) 2000-09-19 US disclosed
EP-0946513-A1 DERIVATIVES OF 6-FLUOROPHENANTHRIDINE FOR LIQUID CRYSTAL MIXTURES Aventis Research & Technologies GmbH & Co. KG (DE) 1999-10-06 EP disclosed
WO-1998027060-A1 DERIVATIVES OF 6-FLUOROPHENANTHRIDINE FOR LIQUID CRYSTAL MIXTURES AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) 1998-06-25 WO disclosed