SCHEMBL7544520

SCHEMBL7544520

OCCc1cnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
ACSS2 Q9NR19 1/20 0.35
KDM4E B2RXH2 2/20 0.33
KDM4A O75164 1/20 0.32
KDM4B O94953 1/20 0.32
KDM5C P41229 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
KCNN4 O15554 1/20 0.32
KCNA3 P22001 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
CYP2C9 P11712 3/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP3A4 P08684 1/20 0.31
HIF1A Q16665 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
SCHEMBL3152998 0.87 TSHR (0.39) KCNN4KCNA3ALDH1A1CYP11B1CYP11B2
SCHEMBL27088570 0.81 SMN1; SMN2 (0.42) TDP1MEN1KMT2A
SCHEMBL5363164 0.80 TRPA1 (0.39) KCNN4KCNA3ALDH1A1CYP11B1CYP11B2
SCHEMBL23532019 0.80 TP53 (0.39) ACSS2KDM4EKCNN4KCNA3MEN1
SCHEMBL7538752 0.80 KCNN4 (0.36) KCNN4KCNA3CYP11B1CYP11B2
SCHEMBL13539077 0.79 KCNN4 (0.31) KCNN4KCNA3CYP11B1CYP11B2
SCHEMBL1195324 0.79 AKR1B1 (0.44) KDM4EALDH1A1CYP1A2CYP2C19HIF1A
SCHEMBL15298129 0.78 CYP2C19 (0.36) ACSS2KCNN4KCNA3MEN1ALDH1A1
SCHEMBL7538966 0.77 KMT2A (0.32) TDP1MEN1ALDH1A1KMT2A
SCHEMBL7544535 0.76 FLT3 (0.33) TDP1KDM4EKCNN4KCNA3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6468995-B1 ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-10-22 US disclosed
EP-0667868-B1 CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO (JP) 2002-05-15 EP disclosed
US-6174877-B1 EXCELLANT BACTERICIDES, ORAL ABSORBABILITY AND STABILITY; IMPROVE THE STABILITY TO RENAL DEHYDROPEPTIDASE I (DHP-I); 2-(2-(N-HETEROCYCLIC-ETHYLTHIO-) DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-16 US disclosed
EP-0876370-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-11-11 EP disclosed
WO-1997025325-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-17 WO disclosed
CN-1116425-A New cephem compounds FUJISAWA PHARMACEUTICAL CO (JP) 1996-02-07 CN disclosed
EP-0667868-A1 NEW CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-08-23 EP disclosed
WO-1995007283-A1 NEW CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-03-16 WO disclosed