SCHEMBL7609094

SCHEMBL7609094

O=C(O)CC1(CC(=O)O)C(=O)Nc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
IDO1 P14902 2/20 0.49
TDO2 P48775 1/20 0.49
LMNA P02545 3/20 0.49
ALDH1A1 P00352 4/20 0.48
PDK2 Q15119 1/20 0.47
PDK4 Q16654 1/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CHRM2 P08172 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
KCNH2 Q12809 1/20 0.44
CYP2C19 P33261 1/20 0.43
ATM Q13315 1/20 0.42
USP2 O75604 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL1460831 0.81 SMN1; SMN2 (0.70) SMN1; SMN2IDO1TDO2LMNAALDH1A1
SCHEMBL12747116 0.79 PDK2 (0.53) SMN1; SMN2IDO1TDO2LMNAALDH1A1
SCHEMBL7607087 0.79 SMN1; SMN2 (0.49) SMN1; SMN2IDO1TDO2LMNAALDH1A1
SCHEMBL18552438 0.78 KMT2A (0.54) SMN1; SMN2IDO1TDO2LMNAALDH1A1
SCHEMBL7607750 0.78 SMN1; SMN2 (0.48) SMN1; SMN2IDO1TDO2LMNAALDH1A1
SCHEMBL7610577 0.77 SMN1; SMN2 (0.47) SMN1; SMN2IDO1TDO2LMNAALDH1A1
SCHEMBL29695374 0.76 PDK2 (0.57) SMN1; SMN2LMNAPDK2PDK4GAA
SCHEMBL3520823 0.76 PDK2 (0.57) SMN1; SMN2LMNAPDK2PDK4GAA
SCHEMBL7615732 0.75 MAPT (0.52) SMN1; SMN2IDO1TDO2LMNAALDH1A1
SCHEMBL13233884 0.73 PDK2 (0.53) SMN1; SMN2IDO1TDO2LMNAALDH1A1

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
EP-0685463-B1 INDOLIN-2-ONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2002-05-22 EP disclosed
US-6207836-B1 Indolin-2-one derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-03-27 US disclosed
US-6127544-A 1-SUBSTITUTED-3-UREIDO-INDOLIN-2-ONES WHICH EXHIBIT SELECTIVE ANTAGONISM AGAINST GASTRIN RECEPTORS WITHOUT CAUSING SIDE EFFECTS ATTRIBUTED TO CCK-A RECEPTOR ANTAGONISM; SUCH AS FOR TREATMENT OF PEPTIC ULCERS, GASTRITIS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2000-10-03 US disclosed
US-6114536-A ANTAGONISM AGAINST GASTRIN RECEPTORS WITHOUT CAUSING SIDE EFFECTS ATTRIBUTED TO CCK-A RECEPTOR ANTAGONISM AND ARE USEFUL FOR THE TREATMENT AND PREVENTION OF DISEASES OF DIGESTIVE ORGANS, SUCH AS PEPTIC ULCER, GASTRITIS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2000-09-05 US disclosed
US-6031111-A Indolin-2-one derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2000-02-29 US disclosed
US-5952511-A EXHIBITS SELECTIVE ANTAGONISM AGAINST GASTRIN RECEPTOR WITHOUT CAUSING SIDE EFFECTS ATTRIBUTED TO GASTRIN RECEPTOR ANTAGONISM AND USEFUL FOR TREATING PEPTIC ULCER, GASTRITIS, REFLUX ESOPHAGITIS AND ZOLLINGER-ELLISON SYNDROME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1999-09-14 US disclosed
EP-0685463-A1 INDOLIN-2-ONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1995-12-06 EP disclosed