SCHEMBL11368014

SCHEMBL11368014

CCOC(=O)c1nn[nH]c1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
CYP1A2 P05177 2/20 0.46
PDE4D Q08499 1/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAOA P21397 1/20 0.41
TSHR P16473 1/20 0.40
FHIT P49789 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL23025720 0.81 PDE4D (0.50) ALDH1A1KMT2AMEN1CYP1A2PDE4D
SCHEMBL7277080 0.80 PDE4D (0.44) ALDH1A1KMT2AMEN1CYP1A2PDE4D
SCHEMBL1928112 0.80 PDE4D (0.44) ALDH1A1KMT2AMEN1CYP1A2PDE4D
SCHEMBL5648877 0.80 KDM4E (0.46) ALDH1A1KMT2AMEN1CYP1A2PDE4D
SCHEMBL15897055 0.79 PDE4D (0.43) ALDH1A1KMT2AMEN1CYP1A2PDE4D
SCHEMBL5906562 0.79 PDE4D (0.43) ALDH1A1KMT2AMEN1CYP1A2PDE4D
SCHEMBL1412491 0.77 PDE4D (0.42) ALDH1A1KMT2AMEN1CYP1A2PDE4D
SCHEMBL5648880 0.77 KDM4E (0.47) ALDH1A1KMT2AMEN1CYP1A2PDE4D
SCHEMBL11528604 0.77 PDE4D (0.42) ALDH1A1KMT2AMEN1CYP1A2PDE4D
SCHEMBL1930598 0.76 PDE4D (0.41) ALDH1A1KMT2AMEN1CYP1A2PDE4D

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-4293699-A CONTAINING A BENZIMIDAZOLE OR 3-/5,6,7,8-TETRAHYDROIMIDAZO(1,5A)PYRIDINE, ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-10-06 US disclosed
US-4287198-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-09-01 US disclosed
US-4221802-A Pharmacologically active guanidine compounds for inhibiting H-2 histamine receptors SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-09-09 US disclosed
US-4154844-A ANTIHISTAMINE, GASTRIC JUICE ANTISECRETORY AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-05-15 US disclosed
US-4137237-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-01-30 US disclosed
US-4070475-A THIOALKYL-, AMINOALKYL-, AND OXYALKYL- SUBSTITUTED GUANIDINES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1978-01-24 US disclosed
US-4024271-A INHIBITORS OF HISTAMINE ACTIVITY SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-17 US disclosed
US-4022797-A PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-10 US disclosed