SCHEMBL6813677

SCHEMBL6813677

CCOc1ccccc1NC1CCC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.58
▸ LMNA P02545 1/20 0.58
▸ ALOX12 P18054 1/20 0.58
▸ KDM4E B2RXH2 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ GAA P10253 3/20 0.47
▸ TSHR P16473 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL1646836 0.81 LMNA (0.55) ALDH1A1LMNAKDM4ESMN1; SMN2GAA
SCHEMBL19915073 0.76 NPSR1 (0.61) ALDH1A1LMNAKDM4ESMN1; SMN2GAA
SCHEMBL2751300 0.75 ALDH1A1 (0.70) ALDH1A1LMNAALOX12KDM4ESMN1; SMN2
SCHEMBL5444729 0.74 LMNA (1.00) ALDH1A1LMNAALOX12SMN1; SMN2MEN1
SCHEMBL1639715 0.74 GAA (0.59) ALDH1A1LMNAKDM4ESMN1; SMN2MEN1
SCHEMBL11521594 0.74 MAPK10 (0.62) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL2486964 0.73 BRD4 (0.53) ALDH1A1MEN1KMT2AMAPK1MAPT
SCHEMBL1645759 0.73 DRD2 (0.52) ALDH1A1LMNAALOX12SMN1; SMN2GAA
SCHEMBL11300182 0.73 GAA (0.54) ALDH1A1LMNAALOX12KDM4ESMN1; SMN2
SCHEMBL14715753 0.73 GAA (0.54) ALDH1A1LMNAALOX12KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077694-B1 ARYL NITRONE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE RENOVIS INC (US) 2004-07-21 — — EP disclosed
US-6258852-B1 NITRONE COMPOUNDS FOR TREATMENT OF INFLAMMATORY DISEASE CENTAUR PHARMACEUTICALS, INC. 2001-07-10 — — US disclosed
EP-1077694-A1 ARYL NITRONE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 2001-02-28 — — EP disclosed
US-6083989-A ADMINISTERING TO THE PATIENT SUFFERING FROM INFLAMMATORY BOWL MOVEMENT AN N-SUBSTITUTED ARYL NITRON COMPOUND OR SALT CENTAUR PHARMACEUTICALS, INC. (US) 2000-07-04 — — US disclosed
WO-1999059576-A1 ARYL NITRONE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 1999-11-25 — — WO disclosed
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